----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:56:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.675160852125446 0.000000000000000 0.000000000000000 b 0.000000000000000 15.400140799999999 0.000000000000000 c -2.674761938895940 0.000000000000000 5.549281513221437 Atomic positions (fractional): *1 Ag 0.07188963975760 0.19337561499532 0.78391954070710 107.868 *2 Ag 0.47148465360435 0.26046103570152 0.19526560063205 107.868 3 Ag 0.92811036024241 0.69337561499532 0.71608045929290 107.868 *4 Ag 0.57586635626272 0.09636458011886 0.03555323480397 107.868 5 Ag 0.52851534639565 0.76046103570152 0.30473439936795 107.868 6 Ag 0.57586635626272 0.40363541988114 0.53555323480397 107.868 7 Ag 0.92811036024241 0.80662438500468 0.21608045929290 107.868 8 Ag 0.52851534639565 0.73953896429848 0.80473439936795 107.868 9 Ag 0.42413364373728 0.90363541988114 0.96444676519603 107.868 10 Ag 0.42413364373728 0.59636458011886 0.46444676519603 107.868 11 Ag 0.07188963975760 0.30662438500468 0.28391954070710 107.868 12 Ag 0.47148465360435 0.23953896429848 0.69526560063205 107.868 *13 Sb 0.18830505486038 0.45948832737824 0.80496822237581 121.760 14 Sb 0.81169494513962 0.95948832737824 0.69503177762419 121.760 15 Sb 0.81169494513962 0.54051167262176 0.19503177762419 121.760 16 Sb 0.18830505486038 0.04051167262176 0.30496822237581 121.760 *17 S 0.79246831856487 0.94683563786287 0.27935542315357 32.065 18 S 0.79246831856487 0.55316436213713 0.77935542315357 32.065 19 S 0.20753168143513 0.44683563786287 0.22064457684643 32.065 *20 S 0.06187030943077 0.83575865681640 0.89064916959942 32.065 *21 S 0.53921513811681 0.36789341043933 0.94506163152444 32.065 22 S 0.46078486188319 0.86789341043933 0.55493836847556 32.065 23 S 0.20753168143513 0.05316436213713 0.72064457684643 32.065 24 S 0.46078486188319 0.63210658956067 0.05493836847556 32.065 25 S 0.53921513811681 0.13210658956067 0.44506163152444 32.065 26 S 0.93812969056923 0.33575865681640 0.60935083040058 32.065 27 S 0.06187030943077 0.66424134318360 0.39064916959942 32.065 28 S 0.93812969056923 0.16424134318360 0.10935083040058 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.675160852125446 0.000000000000000 0.000000000000000 b 0.000000000000000 15.400140799999999 0.000000000000000 c -2.674761938895940 0.000000000000000 5.549281513221437 Atomic positions (fractional): *1 Ag 0.07188963975760 0.19337561499532 0.78391954070710 107.868 > 1 *2 Ag 0.47148465360435 0.26046103570152 0.19526560063205 107.868 > 2 3 Ag 0.92811036024241 0.69337561499532 0.71608045929290 107.868 > 3 *4 Ag 0.57586635626272 0.09636458011886 0.03555323480397 107.868 > 4 5 Ag 0.52851534639565 0.76046103570152 0.30473439936795 107.868 > 5 6 Ag 0.57586635626272 0.40363541988114 0.53555323480397 107.868 > 6 7 Ag 0.92811036024241 0.80662438500468 0.21608045929290 107.868 > 7 8 Ag 0.52851534639565 0.73953896429848 0.80473439936795 107.868 > 8 9 Ag 0.42413364373728 0.90363541988114 0.96444676519603 107.868 > 9 10 Ag 0.42413364373728 0.59636458011886 0.46444676519603 107.868 > 10 11 Ag 0.07188963975760 0.30662438500468 0.28391954070710 107.868 > 11 12 Ag 0.47148465360435 0.23953896429848 0.69526560063205 107.868 > 12 *13 Sb 0.18830505486038 0.45948832737824 0.80496822237581 121.760 > 13 14 Sb 0.81169494513962 0.95948832737824 0.69503177762419 121.760 > 14 15 Sb 0.81169494513962 0.54051167262176 0.19503177762419 121.760 > 15 16 Sb 0.18830505486038 0.04051167262176 0.30496822237581 121.760 > 16 *17 S 0.79246831856487 0.94683563786287 0.27935542315357 32.065 > 17 18 S 0.79246831856487 0.55316436213713 0.77935542315357 32.065 > 18 19 S 0.20753168143513 0.44683563786287 0.22064457684643 32.065 > 19 *20 S 0.06187030943077 0.83575865681640 0.89064916959942 32.065 > 20 *21 S 0.53921513811681 0.36789341043933 0.94506163152444 32.065 > 21 22 S 0.46078486188319 0.86789341043933 0.55493836847556 32.065 > 22 23 S 0.20753168143513 0.05316436213713 0.72064457684643 32.065 > 23 24 S 0.46078486188319 0.63210658956067 0.05493836847556 32.065 > 24 25 S 0.53921513811681 0.13210658956067 0.44506163152444 32.065 > 25 26 S 0.93812969056923 0.33575865681640 0.60935083040058 32.065 > 26 27 S 0.06187030943077 0.66424134318360 0.39064916959942 32.065 > 27 28 S 0.93812969056923 0.16424134318360 0.10935083040058 32.065 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.350321704250891 0.000000000000000 0.000000000000000 b 0.000000000000000 15.400140799999999 0.000000000000000 c -5.349523877791880 0.000000000000000 11.098563026442873 Atomic positions (fractional): *1 Ag 0.03594481987880 0.19337561499532 0.39195977035355 107.868 > 1 2 Ag 0.53594481987880 0.19337561499532 0.39195977035355 107.868 > 1 3 Ag 0.03594481987880 0.19337561499532 0.89195977035355 107.868 > 1 4 Ag 0.53594481987880 0.19337561499532 0.89195977035355 107.868 > 1 *5 Ag 0.23574232680218 0.26046103570152 0.09763280031602 107.868 > 2 6 Ag 0.73574232680218 0.26046103570152 0.09763280031602 107.868 > 2 7 Ag 0.23574232680218 0.26046103570152 0.59763280031602 107.868 > 2 8 Ag 0.73574232680218 0.26046103570152 0.59763280031602 107.868 > 2 9 Ag 0.46405518012120 0.69337561499532 0.35804022964645 107.868 > 3 10 Ag 0.96405518012120 0.69337561499532 0.35804022964645 107.868 > 3 11 Ag 0.46405518012120 0.69337561499532 0.85804022964645 107.868 > 3 12 Ag 0.96405518012120 0.69337561499532 0.85804022964645 107.868 > 3 *13 Ag 0.28793317813136 0.09636458011886 0.01777661740199 107.868 > 4 14 Ag 0.78793317813136 0.09636458011886 0.01777661740199 107.868 > 4 15 Ag 0.28793317813136 0.09636458011886 0.51777661740199 107.868 > 4 16 Ag 0.78793317813136 0.09636458011886 0.51777661740199 107.868 > 4 17 Ag 0.26425767319782 0.76046103570152 0.15236719968398 107.868 > 5 18 Ag 0.76425767319782 0.76046103570152 0.15236719968398 107.868 > 5 19 Ag 0.26425767319782 0.76046103570152 0.65236719968398 107.868 > 5 20 Ag 0.76425767319782 0.76046103570152 0.65236719968398 107.868 > 5 21 Ag 0.28793317813136 0.40363541988114 0.26777661740199 107.868 > 6 22 Ag 0.78793317813136 0.40363541988114 0.26777661740199 107.868 > 6 23 Ag 0.28793317813136 0.40363541988114 0.76777661740199 107.868 > 6 24 Ag 0.78793317813136 0.40363541988114 0.76777661740199 107.868 > 6 25 Ag 0.46405518012120 0.80662438500468 0.10804022964645 107.868 > 7 26 Ag 0.96405518012120 0.80662438500468 0.10804022964645 107.868 > 7 27 Ag 0.46405518012120 0.80662438500468 0.60804022964645 107.868 > 7 28 Ag 0.96405518012120 0.80662438500468 0.60804022964645 107.868 > 7 29 Ag 0.26425767319782 0.73953896429848 0.40236719968398 107.868 > 8 30 Ag 0.76425767319782 0.73953896429848 0.40236719968398 107.868 > 8 31 Ag 0.26425767319782 0.73953896429848 0.90236719968398 107.868 > 8 32 Ag 0.76425767319782 0.73953896429848 0.90236719968398 107.868 > 8 33 Ag 0.21206682186864 0.90363541988114 0.48222338259801 107.868 > 9 34 Ag 0.71206682186864 0.90363541988114 0.48222338259801 107.868 > 9 35 Ag 0.21206682186864 0.90363541988114 0.98222338259801 107.868 > 9 36 Ag 0.71206682186864 0.90363541988114 0.98222338259801 107.868 > 9 37 Ag 0.21206682186864 0.59636458011886 0.23222338259801 107.868 > 10 38 Ag 0.71206682186864 0.59636458011886 0.23222338259801 107.868 > 10 39 Ag 0.21206682186864 0.59636458011886 0.73222338259801 107.868 > 10 40 Ag 0.71206682186864 0.59636458011886 0.73222338259801 107.868 > 10 41 Ag 0.03594481987880 0.30662438500468 0.14195977035355 107.868 > 11 42 Ag 0.53594481987880 0.30662438500468 0.14195977035355 107.868 > 11 43 Ag 0.03594481987880 0.30662438500468 0.64195977035355 107.868 > 11 44 Ag 0.53594481987880 0.30662438500468 0.64195977035355 107.868 > 11 45 Ag 0.23574232680218 0.23953896429848 0.34763280031602 107.868 > 12 46 Ag 0.73574232680218 0.23953896429848 0.34763280031602 107.868 > 12 47 Ag 0.23574232680218 0.23953896429848 0.84763280031602 107.868 > 12 48 Ag 0.73574232680218 0.23953896429848 0.84763280031602 107.868 > 12 *49 Sb 0.09415252743019 0.45948832737824 0.40248411118791 121.760 > 13 50 Sb 0.59415252743019 0.45948832737824 0.40248411118791 121.760 > 13 51 Sb 0.09415252743019 0.45948832737824 0.90248411118791 121.760 > 13 52 Sb 0.59415252743019 0.45948832737824 0.90248411118791 121.760 > 13 53 Sb 0.40584747256981 0.95948832737824 0.34751588881209 121.760 > 14 54 Sb 0.90584747256981 0.95948832737824 0.34751588881209 121.760 > 14 55 Sb 0.40584747256981 0.95948832737824 0.84751588881209 121.760 > 14 56 Sb 0.90584747256981 0.95948832737824 0.84751588881209 121.760 > 14 57 Sb 0.40584747256981 0.54051167262176 0.09751588881209 121.760 > 15 58 Sb 0.90584747256981 0.54051167262176 0.09751588881209 121.760 > 15 59 Sb 0.40584747256981 0.54051167262176 0.59751588881209 121.760 > 15 60 Sb 0.90584747256981 0.54051167262176 0.59751588881209 121.760 > 15 61 Sb 0.09415252743019 0.04051167262176 0.15248411118791 121.760 > 16 62 Sb 0.59415252743019 0.04051167262176 0.15248411118791 121.760 > 16 63 Sb 0.09415252743019 0.04051167262176 0.65248411118791 121.760 > 16 64 Sb 0.59415252743019 0.04051167262176 0.65248411118791 121.760 > 16 *65 S 0.39623415928244 0.94683563786287 0.13967771157679 32.065 > 17 66 S 0.89623415928244 0.94683563786287 0.13967771157679 32.065 > 17 67 S 0.39623415928244 0.94683563786287 0.63967771157679 32.065 > 17 68 S 0.89623415928244 0.94683563786287 0.63967771157679 32.065 > 17 69 S 0.39623415928244 0.55316436213713 0.38967771157679 32.065 > 18 70 S 0.89623415928244 0.55316436213713 0.38967771157679 32.065 > 18 71 S 0.39623415928244 0.55316436213713 0.88967771157679 32.065 > 18 72 S 0.89623415928244 0.55316436213713 0.88967771157679 32.065 > 18 73 S 0.10376584071756 0.44683563786287 0.11032228842321 32.065 > 19 74 S 0.60376584071756 0.44683563786287 0.11032228842321 32.065 > 19 75 S 0.10376584071756 0.44683563786287 0.61032228842321 32.065 > 19 76 S 0.60376584071756 0.44683563786287 0.61032228842321 32.065 > 19 *77 S 0.03093515471538 0.83575865681640 0.44532458479971 32.065 > 20 78 S 0.53093515471538 0.83575865681640 0.44532458479971 32.065 > 20 79 S 0.03093515471538 0.83575865681640 0.94532458479971 32.065 > 20 80 S 0.53093515471538 0.83575865681640 0.94532458479971 32.065 > 20 *81 S 0.26960756905840 0.36789341043933 0.47253081576222 32.065 > 21 82 S 0.76960756905840 0.36789341043933 0.47253081576222 32.065 > 21 83 S 0.26960756905840 0.36789341043933 0.97253081576222 32.065 > 21 84 S 0.76960756905840 0.36789341043933 0.97253081576222 32.065 > 21 85 S 0.23039243094160 0.86789341043933 0.27746918423778 32.065 > 22 86 S 0.73039243094160 0.86789341043933 0.27746918423778 32.065 > 22 87 S 0.23039243094160 0.86789341043933 0.77746918423778 32.065 > 22 88 S 0.73039243094160 0.86789341043933 0.77746918423778 32.065 > 22 89 S 0.10376584071756 0.05316436213713 0.36032228842321 32.065 > 23 90 S 0.60376584071756 0.05316436213713 0.36032228842321 32.065 > 23 91 S 0.10376584071756 0.05316436213713 0.86032228842321 32.065 > 23 92 S 0.60376584071756 0.05316436213713 0.86032228842321 32.065 > 23 93 S 0.23039243094160 0.63210658956067 0.02746918423778 32.065 > 24 94 S 0.73039243094160 0.63210658956067 0.02746918423778 32.065 > 24 95 S 0.23039243094160 0.63210658956067 0.52746918423778 32.065 > 24 96 S 0.73039243094160 0.63210658956067 0.52746918423778 32.065 > 24 97 S 0.26960756905840 0.13210658956067 0.22253081576222 32.065 > 25 98 S 0.76960756905840 0.13210658956067 0.22253081576222 32.065 > 25 99 S 0.26960756905840 0.13210658956067 0.72253081576222 32.065 > 25 100 S 0.76960756905840 0.13210658956067 0.72253081576222 32.065 > 25 101 S 0.46906484528462 0.33575865681640 0.30467541520029 32.065 > 26 102 S 0.96906484528462 0.33575865681640 0.30467541520029 32.065 > 26 103 S 0.46906484528462 0.33575865681640 0.80467541520029 32.065 > 26 104 S 0.96906484528462 0.33575865681640 0.80467541520029 32.065 > 26 105 S 0.03093515471538 0.66424134318360 0.19532458479971 32.065 > 27 106 S 0.53093515471538 0.66424134318360 0.19532458479971 32.065 > 27 107 S 0.03093515471538 0.66424134318360 0.69532458479971 32.065 > 27 108 S 0.53093515471538 0.66424134318360 0.69532458479971 32.065 > 27 109 S 0.46906484528462 0.16424134318360 0.05467541520029 32.065 > 28 110 S 0.96906484528462 0.16424134318360 0.05467541520029 32.065 > 28 111 S 0.46906484528462 0.16424134318360 0.55467541520029 32.065 > 28 112 S 0.96906484528462 0.16424134318360 0.55467541520029 32.065 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.0592596 0.0000000 0.2537567 0.0000000 13.3242394 0.0000000 0.2537604 0.0000000 12.1577509 -------------------------- Born effective charges -------------------------- 1 Ag 0.6856173 0.0695830 -0.2419235 -0.0098064 1.0171696 -0.1406302 -0.2488124 -0.2715291 1.0066003 2 Ag 0.8236890 0.0950271 0.0348204 0.0792935 1.4106806 -0.2264950 -0.0063222 -0.1305859 0.8900829 3 Ag 0.6856173 -0.0695830 -0.2419235 0.0098064 1.0171696 0.1406302 -0.2488124 0.2715291 1.0066003 4 Ag 1.3500815 -0.1105834 0.1755215 -0.1401536 0.9697616 -0.0536234 0.2175993 -0.0298787 1.2183440 5 Ag 0.8236890 -0.0950271 0.0348204 -0.0792935 1.4106806 0.2264950 -0.0063222 0.1305859 0.8900829 6 Ag 1.3500815 0.1105834 0.1755215 0.1401536 0.9697616 0.0536234 0.2175993 0.0298787 1.2183440 7 Ag 0.6856173 0.0695830 -0.2419235 -0.0098064 1.0171696 -0.1406302 -0.2488124 -0.2715291 1.0066003 8 Ag 0.8236890 0.0950271 0.0348204 0.0792935 1.4106806 -0.2264950 -0.0063222 -0.1305859 0.8900829 9 Ag 1.3500815 -0.1105834 0.1755215 -0.1401536 0.9697616 -0.0536234 0.2175993 -0.0298787 1.2183440 10 Ag 1.3500815 0.1105834 0.1755215 0.1401536 0.9697616 0.0536234 0.2175993 0.0298787 1.2183440 11 Ag 0.6856173 -0.0695830 -0.2419235 0.0098064 1.0171696 0.1406302 -0.2488124 0.2715291 1.0066003 12 Ag 0.8236890 -0.0950271 0.0348204 -0.0792935 1.4106806 0.2264950 -0.0063222 0.1305859 0.8900829 13 Sb 3.9368863 -0.4209941 0.4009651 -1.0658006 3.7880770 0.6435301 0.3620590 0.8302983 2.9637247 14 Sb 3.9368863 0.4209941 0.4009651 1.0658006 3.7880770 -0.6435301 0.3620590 -0.8302983 2.9637247 15 Sb 3.9368863 -0.4209941 0.4009651 -1.0658006 3.7880770 0.6435301 0.3620590 0.8302983 2.9637247 16 Sb 3.9368863 0.4209941 0.4009651 1.0658006 3.7880770 -0.6435301 0.3620590 -0.8302983 2.9637247 17 S -2.2691952 -0.6063096 0.3938073 -0.7879359 -1.9030654 0.1357700 0.4281514 -0.0912831 -2.5668105 18 S -2.2691952 0.6063096 0.3938073 0.7879359 -1.9030654 -0.1357700 0.4281514 0.0912831 -2.5668105 19 S -2.2691952 0.6063096 0.3938073 0.7879359 -1.9030654 -0.1357700 0.4281514 0.0912831 -2.5668105 20 S -1.8814311 0.7198979 -0.2938466 0.7296799 -2.5884458 0.7436653 -0.4114718 0.9596851 -1.8706747 21 S -2.6456479 0.5067347 -0.4693441 0.8777390 -2.6941775 0.0373797 -0.3412034 0.0688130 -1.6412668 22 S -2.6456479 -0.5067347 -0.4693441 -0.8777390 -2.6941775 -0.0373797 -0.3412034 -0.0688130 -1.6412668 23 S -2.2691952 -0.6063096 0.3938073 -0.7879359 -1.9030654 0.1357700 0.4281514 -0.0912831 -2.5668105 24 S -2.6456479 0.5067347 -0.4693441 0.8777390 -2.6941775 0.0373797 -0.3412034 0.0688130 -1.6412668 25 S -2.6456479 -0.5067347 -0.4693441 -0.8777390 -2.6941775 -0.0373797 -0.3412034 -0.0688130 -1.6412668 26 S -1.8814311 -0.7198979 -0.2938466 -0.7296799 -2.5884458 -0.7436653 -0.4114718 -0.9596851 -1.8706747 27 S -1.8814311 -0.7198979 -0.2938466 -0.7296799 -2.5884458 -0.7436653 -0.4114718 -0.9596851 -1.8706747 28 S -1.8814311 0.7198979 -0.2938466 0.7296799 -2.5884458 0.7436653 -0.4114718 0.9596851 -1.8706747 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 0.954 Solver_block: 200 / 880 - Time: 0.837 Solver_block: 300 / 880 - Time: 0.834 Solver_block: 400 / 880 - Time: 0.828 Solver_block: 500 / 880 - Time: 0.827 Solver_block: 600 / 880 - Time: 0.828 Solver_block: 700 / 880 - Time: 0.820 Solver_block: 800 / 880 - Time: 0.823 Solver_block: 880 / 880 - Time: 0.683 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.607 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:57:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:57:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.675160852125446 0.000000000000000 0.000000000000000 b 0.000000000000000 15.400140799999999 0.000000000000000 c -2.674761938895940 0.000000000000000 5.549281513221437 Atomic positions (fractional): 1 Ag 0.07188963975760 0.19337561499532 0.78391954070710 107.868 2 Ag 0.47148465360435 0.26046103570152 0.19526560063205 107.868 3 Ag 0.92811036024241 0.69337561499532 0.71608045929290 107.868 4 Ag 0.57586635626272 0.09636458011886 0.03555323480397 107.868 5 Ag 0.52851534639565 0.76046103570152 0.30473439936795 107.868 6 Ag 0.57586635626272 0.40363541988114 0.53555323480397 107.868 7 Ag 0.92811036024241 0.80662438500468 0.21608045929290 107.868 8 Ag 0.52851534639565 0.73953896429848 0.80473439936795 107.868 9 Ag 0.42413364373728 0.90363541988114 0.96444676519603 107.868 10 Ag 0.42413364373728 0.59636458011886 0.46444676519603 107.868 11 Ag 0.07188963975760 0.30662438500468 0.28391954070710 107.868 12 Ag 0.47148465360435 0.23953896429848 0.69526560063205 107.868 13 Sb 0.18830505486038 0.45948832737824 0.80496822237581 121.760 14 Sb 0.81169494513962 0.95948832737824 0.69503177762419 121.760 15 Sb 0.81169494513962 0.54051167262176 0.19503177762419 121.760 16 Sb 0.18830505486038 0.04051167262176 0.30496822237581 121.760 17 S 0.79246831856487 0.94683563786287 0.27935542315357 32.065 18 S 0.79246831856487 0.55316436213713 0.77935542315357 32.065 19 S 0.20753168143513 0.44683563786287 0.22064457684643 32.065 20 S 0.06187030943077 0.83575865681640 0.89064916959942 32.065 21 S 0.53921513811681 0.36789341043933 0.94506163152444 32.065 22 S 0.46078486188319 0.86789341043933 0.55493836847556 32.065 23 S 0.20753168143513 0.05316436213713 0.72064457684643 32.065 24 S 0.46078486188319 0.63210658956067 0.05493836847556 32.065 25 S 0.53921513811681 0.13210658956067 0.44506163152444 32.065 26 S 0.93812969056923 0.33575865681640 0.60935083040058 32.065 27 S 0.06187030943077 0.66424134318360 0.39064916959942 32.065 28 S 0.93812969056923 0.16424134318360 0.10935083040058 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.350321704250891 0.000000000000000 0.000000000000000 b 0.000000000000000 15.400140799999999 0.000000000000000 c -5.349523877791880 0.000000000000000 11.098563026442873 Atomic positions (fractional): 1 Ag 0.03594481987880 0.19337561499532 0.39195977035355 107.868 > 1 2 Ag 0.53594481987880 0.19337561499532 0.39195977035355 107.868 > 1 3 Ag 0.03594481987880 0.19337561499532 0.89195977035355 107.868 > 1 4 Ag 0.53594481987880 0.19337561499532 0.89195977035355 107.868 > 1 5 Ag 0.23574232680218 0.26046103570152 0.09763280031602 107.868 > 5 6 Ag 0.73574232680218 0.26046103570152 0.09763280031602 107.868 > 5 7 Ag 0.23574232680218 0.26046103570152 0.59763280031602 107.868 > 5 8 Ag 0.73574232680218 0.26046103570152 0.59763280031602 107.868 > 5 9 Ag 0.46405518012120 0.69337561499532 0.35804022964645 107.868 > 9 10 Ag 0.96405518012120 0.69337561499532 0.35804022964645 107.868 > 9 11 Ag 0.46405518012120 0.69337561499532 0.85804022964645 107.868 > 9 12 Ag 0.96405518012120 0.69337561499532 0.85804022964645 107.868 > 9 13 Ag 0.28793317813136 0.09636458011886 0.01777661740199 107.868 > 13 14 Ag 0.78793317813136 0.09636458011886 0.01777661740199 107.868 > 13 15 Ag 0.28793317813136 0.09636458011886 0.51777661740199 107.868 > 13 16 Ag 0.78793317813136 0.09636458011886 0.51777661740199 107.868 > 13 17 Ag 0.26425767319782 0.76046103570152 0.15236719968398 107.868 > 17 18 Ag 0.76425767319782 0.76046103570152 0.15236719968398 107.868 > 17 19 Ag 0.26425767319782 0.76046103570152 0.65236719968398 107.868 > 17 20 Ag 0.76425767319782 0.76046103570152 0.65236719968398 107.868 > 17 21 Ag 0.28793317813136 0.40363541988114 0.26777661740199 107.868 > 21 22 Ag 0.78793317813136 0.40363541988114 0.26777661740199 107.868 > 21 23 Ag 0.28793317813136 0.40363541988114 0.76777661740199 107.868 > 21 24 Ag 0.78793317813136 0.40363541988114 0.76777661740199 107.868 > 21 25 Ag 0.46405518012120 0.80662438500468 0.10804022964645 107.868 > 25 26 Ag 0.96405518012120 0.80662438500468 0.10804022964645 107.868 > 25 27 Ag 0.46405518012120 0.80662438500468 0.60804022964645 107.868 > 25 28 Ag 0.96405518012120 0.80662438500468 0.60804022964645 107.868 > 25 29 Ag 0.26425767319782 0.73953896429848 0.40236719968398 107.868 > 29 30 Ag 0.76425767319782 0.73953896429848 0.40236719968398 107.868 > 29 31 Ag 0.26425767319782 0.73953896429848 0.90236719968398 107.868 > 29 32 Ag 0.76425767319782 0.73953896429848 0.90236719968398 107.868 > 29 33 Ag 0.21206682186864 0.90363541988114 0.48222338259801 107.868 > 33 34 Ag 0.71206682186864 0.90363541988114 0.48222338259801 107.868 > 33 35 Ag 0.21206682186864 0.90363541988114 0.98222338259801 107.868 > 33 36 Ag 0.71206682186864 0.90363541988114 0.98222338259801 107.868 > 33 37 Ag 0.21206682186864 0.59636458011886 0.23222338259801 107.868 > 37 38 Ag 0.71206682186864 0.59636458011886 0.23222338259801 107.868 > 37 39 Ag 0.21206682186864 0.59636458011886 0.73222338259801 107.868 > 37 40 Ag 0.71206682186864 0.59636458011886 0.73222338259801 107.868 > 37 41 Ag 0.03594481987880 0.30662438500468 0.14195977035355 107.868 > 41 42 Ag 0.53594481987880 0.30662438500468 0.14195977035355 107.868 > 41 43 Ag 0.03594481987880 0.30662438500468 0.64195977035355 107.868 > 41 44 Ag 0.53594481987880 0.30662438500468 0.64195977035355 107.868 > 41 45 Ag 0.23574232680218 0.23953896429848 0.34763280031602 107.868 > 45 46 Ag 0.73574232680218 0.23953896429848 0.34763280031602 107.868 > 45 47 Ag 0.23574232680218 0.23953896429848 0.84763280031602 107.868 > 45 48 Ag 0.73574232680218 0.23953896429848 0.84763280031602 107.868 > 45 49 Sb 0.09415252743019 0.45948832737824 0.40248411118791 121.760 > 49 50 Sb 0.59415252743019 0.45948832737824 0.40248411118791 121.760 > 49 51 Sb 0.09415252743019 0.45948832737824 0.90248411118791 121.760 > 49 52 Sb 0.59415252743019 0.45948832737824 0.90248411118791 121.760 > 49 53 Sb 0.40584747256981 0.95948832737824 0.34751588881209 121.760 > 53 54 Sb 0.90584747256981 0.95948832737824 0.34751588881209 121.760 > 53 55 Sb 0.40584747256981 0.95948832737824 0.84751588881209 121.760 > 53 56 Sb 0.90584747256981 0.95948832737824 0.84751588881209 121.760 > 53 57 Sb 0.40584747256981 0.54051167262176 0.09751588881209 121.760 > 57 58 Sb 0.90584747256981 0.54051167262176 0.09751588881209 121.760 > 57 59 Sb 0.40584747256981 0.54051167262176 0.59751588881209 121.760 > 57 60 Sb 0.90584747256981 0.54051167262176 0.59751588881209 121.760 > 57 61 Sb 0.09415252743019 0.04051167262176 0.15248411118791 121.760 > 61 62 Sb 0.59415252743019 0.04051167262176 0.15248411118791 121.760 > 61 63 Sb 0.09415252743019 0.04051167262176 0.65248411118791 121.760 > 61 64 Sb 0.59415252743019 0.04051167262176 0.65248411118791 121.760 > 61 65 S 0.39623415928244 0.94683563786287 0.13967771157679 32.065 > 65 66 S 0.89623415928244 0.94683563786287 0.13967771157679 32.065 > 65 67 S 0.39623415928244 0.94683563786287 0.63967771157679 32.065 > 65 68 S 0.89623415928244 0.94683563786287 0.63967771157679 32.065 > 65 69 S 0.39623415928244 0.55316436213713 0.38967771157679 32.065 > 69 70 S 0.89623415928244 0.55316436213713 0.38967771157679 32.065 > 69 71 S 0.39623415928244 0.55316436213713 0.88967771157679 32.065 > 69 72 S 0.89623415928244 0.55316436213713 0.88967771157679 32.065 > 69 73 S 0.10376584071756 0.44683563786287 0.11032228842321 32.065 > 73 74 S 0.60376584071756 0.44683563786287 0.11032228842321 32.065 > 73 75 S 0.10376584071756 0.44683563786287 0.61032228842321 32.065 > 73 76 S 0.60376584071756 0.44683563786287 0.61032228842321 32.065 > 73 77 S 0.03093515471538 0.83575865681640 0.44532458479971 32.065 > 77 78 S 0.53093515471538 0.83575865681640 0.44532458479971 32.065 > 77 79 S 0.03093515471538 0.83575865681640 0.94532458479971 32.065 > 77 80 S 0.53093515471538 0.83575865681640 0.94532458479971 32.065 > 77 81 S 0.26960756905840 0.36789341043933 0.47253081576222 32.065 > 81 82 S 0.76960756905840 0.36789341043933 0.47253081576222 32.065 > 81 83 S 0.26960756905840 0.36789341043933 0.97253081576222 32.065 > 81 84 S 0.76960756905840 0.36789341043933 0.97253081576222 32.065 > 81 85 S 0.23039243094160 0.86789341043933 0.27746918423778 32.065 > 85 86 S 0.73039243094160 0.86789341043933 0.27746918423778 32.065 > 85 87 S 0.23039243094160 0.86789341043933 0.77746918423778 32.065 > 85 88 S 0.73039243094160 0.86789341043933 0.77746918423778 32.065 > 85 89 S 0.10376584071756 0.05316436213713 0.36032228842321 32.065 > 89 90 S 0.60376584071756 0.05316436213713 0.36032228842321 32.065 > 89 91 S 0.10376584071756 0.05316436213713 0.86032228842321 32.065 > 89 92 S 0.60376584071756 0.05316436213713 0.86032228842321 32.065 > 89 93 S 0.23039243094160 0.63210658956067 0.02746918423778 32.065 > 93 94 S 0.73039243094160 0.63210658956067 0.02746918423778 32.065 > 93 95 S 0.23039243094160 0.63210658956067 0.52746918423778 32.065 > 93 96 S 0.73039243094160 0.63210658956067 0.52746918423778 32.065 > 93 97 S 0.26960756905840 0.13210658956067 0.22253081576222 32.065 > 97 98 S 0.76960756905840 0.13210658956067 0.22253081576222 32.065 > 97 99 S 0.26960756905840 0.13210658956067 0.72253081576222 32.065 > 97 100 S 0.76960756905840 0.13210658956067 0.72253081576222 32.065 > 97 101 S 0.46906484528462 0.33575865681640 0.30467541520029 32.065 > 101 102 S 0.96906484528462 0.33575865681640 0.30467541520029 32.065 > 101 103 S 0.46906484528462 0.33575865681640 0.80467541520029 32.065 > 101 104 S 0.96906484528462 0.33575865681640 0.80467541520029 32.065 > 101 105 S 0.03093515471538 0.66424134318360 0.19532458479971 32.065 > 105 106 S 0.53093515471538 0.66424134318360 0.19532458479971 32.065 > 105 107 S 0.03093515471538 0.66424134318360 0.69532458479971 32.065 > 105 108 S 0.53093515471538 0.66424134318360 0.69532458479971 32.065 > 105 109 S 0.46906484528462 0.16424134318360 0.05467541520029 32.065 > 109 110 S 0.96906484528462 0.16424134318360 0.05467541520029 32.065 > 109 111 S 0.46906484528462 0.16424134318360 0.55467541520029 32.065 > 109 112 S 0.96906484528462 0.16424134318360 0.55467541520029 32.065 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.0592596 0.0000000 0.2537567 0.0000000 13.3242394 0.0000000 0.2537604 0.0000000 12.1577509 -------------------------- Born effective charges -------------------------- 1 Ag 0.6856173 0.0695830 -0.2419235 -0.0098064 1.0171696 -0.1406302 -0.2488124 -0.2715291 1.0066003 2 Ag 0.8236890 0.0950271 0.0348204 0.0792935 1.4106806 -0.2264950 -0.0063222 -0.1305859 0.8900829 3 Ag 0.6856173 -0.0695830 -0.2419235 0.0098064 1.0171696 0.1406302 -0.2488124 0.2715291 1.0066003 4 Ag 1.3500815 -0.1105834 0.1755215 -0.1401536 0.9697616 -0.0536234 0.2175993 -0.0298787 1.2183440 5 Ag 0.8236890 -0.0950271 0.0348204 -0.0792935 1.4106806 0.2264950 -0.0063222 0.1305859 0.8900829 6 Ag 1.3500815 0.1105834 0.1755215 0.1401536 0.9697616 0.0536234 0.2175993 0.0298787 1.2183440 7 Ag 0.6856173 0.0695830 -0.2419235 -0.0098064 1.0171696 -0.1406302 -0.2488124 -0.2715291 1.0066003 8 Ag 0.8236890 0.0950271 0.0348204 0.0792935 1.4106806 -0.2264950 -0.0063222 -0.1305859 0.8900829 9 Ag 1.3500815 -0.1105834 0.1755215 -0.1401536 0.9697616 -0.0536234 0.2175993 -0.0298787 1.2183440 10 Ag 1.3500815 0.1105834 0.1755215 0.1401536 0.9697616 0.0536234 0.2175993 0.0298787 1.2183440 11 Ag 0.6856173 -0.0695830 -0.2419235 0.0098064 1.0171696 0.1406302 -0.2488124 0.2715291 1.0066003 12 Ag 0.8236890 -0.0950271 0.0348204 -0.0792935 1.4106806 0.2264950 -0.0063222 0.1305859 0.8900829 13 Sb 3.9368863 -0.4209941 0.4009651 -1.0658006 3.7880770 0.6435301 0.3620590 0.8302983 2.9637247 14 Sb 3.9368863 0.4209941 0.4009651 1.0658006 3.7880770 -0.6435301 0.3620590 -0.8302983 2.9637247 15 Sb 3.9368863 -0.4209941 0.4009651 -1.0658006 3.7880770 0.6435301 0.3620590 0.8302983 2.9637247 16 Sb 3.9368863 0.4209941 0.4009651 1.0658006 3.7880770 -0.6435301 0.3620590 -0.8302983 2.9637247 17 S -2.2691952 -0.6063096 0.3938073 -0.7879359 -1.9030654 0.1357700 0.4281514 -0.0912831 -2.5668105 18 S -2.2691952 0.6063096 0.3938073 0.7879359 -1.9030654 -0.1357700 0.4281514 0.0912831 -2.5668105 19 S -2.2691952 0.6063096 0.3938073 0.7879359 -1.9030654 -0.1357700 0.4281514 0.0912831 -2.5668105 20 S -1.8814311 0.7198979 -0.2938466 0.7296799 -2.5884458 0.7436653 -0.4114718 0.9596851 -1.8706747 21 S -2.6456479 0.5067347 -0.4693441 0.8777390 -2.6941775 0.0373797 -0.3412034 0.0688130 -1.6412668 22 S -2.6456479 -0.5067347 -0.4693441 -0.8777390 -2.6941775 -0.0373797 -0.3412034 -0.0688130 -1.6412668 23 S -2.2691952 -0.6063096 0.3938073 -0.7879359 -1.9030654 0.1357700 0.4281514 -0.0912831 -2.5668105 24 S -2.6456479 0.5067347 -0.4693441 0.8777390 -2.6941775 0.0373797 -0.3412034 0.0688130 -1.6412668 25 S -2.6456479 -0.5067347 -0.4693441 -0.8777390 -2.6941775 -0.0373797 -0.3412034 -0.0688130 -1.6412668 26 S -1.8814311 -0.7198979 -0.2938466 -0.7296799 -2.5884458 -0.7436653 -0.4114718 -0.9596851 -1.8706747 27 S -1.8814311 -0.7198979 -0.2938466 -0.7296799 -2.5884458 -0.7436653 -0.4114718 -0.9596851 -1.8706747 28 S -1.8814311 0.7198979 -0.2938466 0.7296799 -2.5884458 0.7436653 -0.4114718 0.9596851 -1.8706747 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0043 0.0000 0.0090] [ 0.0043 0.0000 -0.0090] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0043 0.0000 0.0090] [ 0.0043 0.0000 -0.0090] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0043 0.0000 0.0090] [ 0.0043 0.0000 -0.0090] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0043 0.0000 0.0090] [ 0.0043 0.0000 -0.0090] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0043 0.0000 0.0090] [ 0.0043 0.0000 -0.0090] Computing fc3[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0043 0.0000 0.0090] [ 0.0043 0.0000 -0.0090] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0043 0.0000 0.0090] [ 0.0043 0.0000 -0.0090] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (xz) 0.00000003 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:57:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:57:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.675160852125446 0.000000000000000 0.000000000000000 b 0.000000000000000 15.400140799999999 0.000000000000000 c -2.674761938895940 0.000000000000000 5.549281513221437 Atomic positions (fractional): 1 Ag 0.07188963975760 0.19337561499532 0.78391954070710 107.868 2 Ag 0.47148465360435 0.26046103570152 0.19526560063205 107.868 3 Ag 0.92811036024241 0.69337561499532 0.71608045929290 107.868 4 Ag 0.57586635626272 0.09636458011886 0.03555323480397 107.868 5 Ag 0.52851534639565 0.76046103570152 0.30473439936795 107.868 6 Ag 0.57586635626272 0.40363541988114 0.53555323480397 107.868 7 Ag 0.92811036024241 0.80662438500468 0.21608045929290 107.868 8 Ag 0.52851534639565 0.73953896429848 0.80473439936795 107.868 9 Ag 0.42413364373728 0.90363541988114 0.96444676519603 107.868 10 Ag 0.42413364373728 0.59636458011886 0.46444676519603 107.868 11 Ag 0.07188963975760 0.30662438500468 0.28391954070710 107.868 12 Ag 0.47148465360435 0.23953896429848 0.69526560063205 107.868 13 Sb 0.18830505486038 0.45948832737824 0.80496822237581 121.760 14 Sb 0.81169494513962 0.95948832737824 0.69503177762419 121.760 15 Sb 0.81169494513962 0.54051167262176 0.19503177762419 121.760 16 Sb 0.18830505486038 0.04051167262176 0.30496822237581 121.760 17 S 0.79246831856487 0.94683563786287 0.27935542315357 32.065 18 S 0.79246831856487 0.55316436213713 0.77935542315357 32.065 19 S 0.20753168143513 0.44683563786287 0.22064457684643 32.065 20 S 0.06187030943077 0.83575865681640 0.89064916959942 32.065 21 S 0.53921513811681 0.36789341043933 0.94506163152444 32.065 22 S 0.46078486188319 0.86789341043933 0.55493836847556 32.065 23 S 0.20753168143513 0.05316436213713 0.72064457684643 32.065 24 S 0.46078486188319 0.63210658956067 0.05493836847556 32.065 25 S 0.53921513811681 0.13210658956067 0.44506163152444 32.065 26 S 0.93812969056923 0.33575865681640 0.60935083040058 32.065 27 S 0.06187030943077 0.66424134318360 0.39064916959942 32.065 28 S 0.93812969056923 0.16424134318360 0.10935083040058 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.350321704250891 0.000000000000000 0.000000000000000 b 0.000000000000000 15.400140799999999 0.000000000000000 c -5.349523877791880 0.000000000000000 11.098563026442873 Atomic positions (fractional): 1 Ag 0.03594481987880 0.19337561499532 0.39195977035355 107.868 > 1 2 Ag 0.53594481987880 0.19337561499532 0.39195977035355 107.868 > 1 3 Ag 0.03594481987880 0.19337561499532 0.89195977035355 107.868 > 1 4 Ag 0.53594481987880 0.19337561499532 0.89195977035355 107.868 > 1 5 Ag 0.23574232680218 0.26046103570152 0.09763280031602 107.868 > 5 6 Ag 0.73574232680218 0.26046103570152 0.09763280031602 107.868 > 5 7 Ag 0.23574232680218 0.26046103570152 0.59763280031602 107.868 > 5 8 Ag 0.73574232680218 0.26046103570152 0.59763280031602 107.868 > 5 9 Ag 0.46405518012120 0.69337561499532 0.35804022964645 107.868 > 9 10 Ag 0.96405518012120 0.69337561499532 0.35804022964645 107.868 > 9 11 Ag 0.46405518012120 0.69337561499532 0.85804022964645 107.868 > 9 12 Ag 0.96405518012120 0.69337561499532 0.85804022964645 107.868 > 9 13 Ag 0.28793317813136 0.09636458011886 0.01777661740199 107.868 > 13 14 Ag 0.78793317813136 0.09636458011886 0.01777661740199 107.868 > 13 15 Ag 0.28793317813136 0.09636458011886 0.51777661740199 107.868 > 13 16 Ag 0.78793317813136 0.09636458011886 0.51777661740199 107.868 > 13 17 Ag 0.26425767319782 0.76046103570152 0.15236719968398 107.868 > 17 18 Ag 0.76425767319782 0.76046103570152 0.15236719968398 107.868 > 17 19 Ag 0.26425767319782 0.76046103570152 0.65236719968398 107.868 > 17 20 Ag 0.76425767319782 0.76046103570152 0.65236719968398 107.868 > 17 21 Ag 0.28793317813136 0.40363541988114 0.26777661740199 107.868 > 21 22 Ag 0.78793317813136 0.40363541988114 0.26777661740199 107.868 > 21 23 Ag 0.28793317813136 0.40363541988114 0.76777661740199 107.868 > 21 24 Ag 0.78793317813136 0.40363541988114 0.76777661740199 107.868 > 21 25 Ag 0.46405518012120 0.80662438500468 0.10804022964645 107.868 > 25 26 Ag 0.96405518012120 0.80662438500468 0.10804022964645 107.868 > 25 27 Ag 0.46405518012120 0.80662438500468 0.60804022964645 107.868 > 25 28 Ag 0.96405518012120 0.80662438500468 0.60804022964645 107.868 > 25 29 Ag 0.26425767319782 0.73953896429848 0.40236719968398 107.868 > 29 30 Ag 0.76425767319782 0.73953896429848 0.40236719968398 107.868 > 29 31 Ag 0.26425767319782 0.73953896429848 0.90236719968398 107.868 > 29 32 Ag 0.76425767319782 0.73953896429848 0.90236719968398 107.868 > 29 33 Ag 0.21206682186864 0.90363541988114 0.48222338259801 107.868 > 33 34 Ag 0.71206682186864 0.90363541988114 0.48222338259801 107.868 > 33 35 Ag 0.21206682186864 0.90363541988114 0.98222338259801 107.868 > 33 36 Ag 0.71206682186864 0.90363541988114 0.98222338259801 107.868 > 33 37 Ag 0.21206682186864 0.59636458011886 0.23222338259801 107.868 > 37 38 Ag 0.71206682186864 0.59636458011886 0.23222338259801 107.868 > 37 39 Ag 0.21206682186864 0.59636458011886 0.73222338259801 107.868 > 37 40 Ag 0.71206682186864 0.59636458011886 0.73222338259801 107.868 > 37 41 Ag 0.03594481987880 0.30662438500468 0.14195977035355 107.868 > 41 42 Ag 0.53594481987880 0.30662438500468 0.14195977035355 107.868 > 41 43 Ag 0.03594481987880 0.30662438500468 0.64195977035355 107.868 > 41 44 Ag 0.53594481987880 0.30662438500468 0.64195977035355 107.868 > 41 45 Ag 0.23574232680218 0.23953896429848 0.34763280031602 107.868 > 45 46 Ag 0.73574232680218 0.23953896429848 0.34763280031602 107.868 > 45 47 Ag 0.23574232680218 0.23953896429848 0.84763280031602 107.868 > 45 48 Ag 0.73574232680218 0.23953896429848 0.84763280031602 107.868 > 45 49 Sb 0.09415252743019 0.45948832737824 0.40248411118791 121.760 > 49 50 Sb 0.59415252743019 0.45948832737824 0.40248411118791 121.760 > 49 51 Sb 0.09415252743019 0.45948832737824 0.90248411118791 121.760 > 49 52 Sb 0.59415252743019 0.45948832737824 0.90248411118791 121.760 > 49 53 Sb 0.40584747256981 0.95948832737824 0.34751588881209 121.760 > 53 54 Sb 0.90584747256981 0.95948832737824 0.34751588881209 121.760 > 53 55 Sb 0.40584747256981 0.95948832737824 0.84751588881209 121.760 > 53 56 Sb 0.90584747256981 0.95948832737824 0.84751588881209 121.760 > 53 57 Sb 0.40584747256981 0.54051167262176 0.09751588881209 121.760 > 57 58 Sb 0.90584747256981 0.54051167262176 0.09751588881209 121.760 > 57 59 Sb 0.40584747256981 0.54051167262176 0.59751588881209 121.760 > 57 60 Sb 0.90584747256981 0.54051167262176 0.59751588881209 121.760 > 57 61 Sb 0.09415252743019 0.04051167262176 0.15248411118791 121.760 > 61 62 Sb 0.59415252743019 0.04051167262176 0.15248411118791 121.760 > 61 63 Sb 0.09415252743019 0.04051167262176 0.65248411118791 121.760 > 61 64 Sb 0.59415252743019 0.04051167262176 0.65248411118791 121.760 > 61 65 S 0.39623415928244 0.94683563786287 0.13967771157679 32.065 > 65 66 S 0.89623415928244 0.94683563786287 0.13967771157679 32.065 > 65 67 S 0.39623415928244 0.94683563786287 0.63967771157679 32.065 > 65 68 S 0.89623415928244 0.94683563786287 0.63967771157679 32.065 > 65 69 S 0.39623415928244 0.55316436213713 0.38967771157679 32.065 > 69 70 S 0.89623415928244 0.55316436213713 0.38967771157679 32.065 > 69 71 S 0.39623415928244 0.55316436213713 0.88967771157679 32.065 > 69 72 S 0.89623415928244 0.55316436213713 0.88967771157679 32.065 > 69 73 S 0.10376584071756 0.44683563786287 0.11032228842321 32.065 > 73 74 S 0.60376584071756 0.44683563786287 0.11032228842321 32.065 > 73 75 S 0.10376584071756 0.44683563786287 0.61032228842321 32.065 > 73 76 S 0.60376584071756 0.44683563786287 0.61032228842321 32.065 > 73 77 S 0.03093515471538 0.83575865681640 0.44532458479971 32.065 > 77 78 S 0.53093515471538 0.83575865681640 0.44532458479971 32.065 > 77 79 S 0.03093515471538 0.83575865681640 0.94532458479971 32.065 > 77 80 S 0.53093515471538 0.83575865681640 0.94532458479971 32.065 > 77 81 S 0.26960756905840 0.36789341043933 0.47253081576222 32.065 > 81 82 S 0.76960756905840 0.36789341043933 0.47253081576222 32.065 > 81 83 S 0.26960756905840 0.36789341043933 0.97253081576222 32.065 > 81 84 S 0.76960756905840 0.36789341043933 0.97253081576222 32.065 > 81 85 S 0.23039243094160 0.86789341043933 0.27746918423778 32.065 > 85 86 S 0.73039243094160 0.86789341043933 0.27746918423778 32.065 > 85 87 S 0.23039243094160 0.86789341043933 0.77746918423778 32.065 > 85 88 S 0.73039243094160 0.86789341043933 0.77746918423778 32.065 > 85 89 S 0.10376584071756 0.05316436213713 0.36032228842321 32.065 > 89 90 S 0.60376584071756 0.05316436213713 0.36032228842321 32.065 > 89 91 S 0.10376584071756 0.05316436213713 0.86032228842321 32.065 > 89 92 S 0.60376584071756 0.05316436213713 0.86032228842321 32.065 > 89 93 S 0.23039243094160 0.63210658956067 0.02746918423778 32.065 > 93 94 S 0.73039243094160 0.63210658956067 0.02746918423778 32.065 > 93 95 S 0.23039243094160 0.63210658956067 0.52746918423778 32.065 > 93 96 S 0.73039243094160 0.63210658956067 0.52746918423778 32.065 > 93 97 S 0.26960756905840 0.13210658956067 0.22253081576222 32.065 > 97 98 S 0.76960756905840 0.13210658956067 0.22253081576222 32.065 > 97 99 S 0.26960756905840 0.13210658956067 0.72253081576222 32.065 > 97 100 S 0.76960756905840 0.13210658956067 0.72253081576222 32.065 > 97 101 S 0.46906484528462 0.33575865681640 0.30467541520029 32.065 > 101 102 S 0.96906484528462 0.33575865681640 0.30467541520029 32.065 > 101 103 S 0.46906484528462 0.33575865681640 0.80467541520029 32.065 > 101 104 S 0.96906484528462 0.33575865681640 0.80467541520029 32.065 > 101 105 S 0.03093515471538 0.66424134318360 0.19532458479971 32.065 > 105 106 S 0.53093515471538 0.66424134318360 0.19532458479971 32.065 > 105 107 S 0.03093515471538 0.66424134318360 0.69532458479971 32.065 > 105 108 S 0.53093515471538 0.66424134318360 0.69532458479971 32.065 > 105 109 S 0.46906484528462 0.16424134318360 0.05467541520029 32.065 > 109 110 S 0.96906484528462 0.16424134318360 0.05467541520029 32.065 > 109 111 S 0.46906484528462 0.16424134318360 0.55467541520029 32.065 > 109 112 S 0.96906484528462 0.16424134318360 0.55467541520029 32.065 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 12.0592596 0.0000000 0.2537567 0.0000000 13.3242394 0.0000000 0.2537604 0.0000000 12.1577509 -------------------------- Born effective charges -------------------------- 1 Ag 0.6856173 0.0695830 -0.2419235 -0.0098064 1.0171696 -0.1406302 -0.2488124 -0.2715291 1.0066003 2 Ag 0.8236890 0.0950271 0.0348204 0.0792935 1.4106806 -0.2264950 -0.0063222 -0.1305859 0.8900829 3 Ag 0.6856173 -0.0695830 -0.2419235 0.0098064 1.0171696 0.1406302 -0.2488124 0.2715291 1.0066003 4 Ag 1.3500815 -0.1105834 0.1755215 -0.1401536 0.9697616 -0.0536234 0.2175993 -0.0298787 1.2183440 5 Ag 0.8236890 -0.0950271 0.0348204 -0.0792935 1.4106806 0.2264950 -0.0063222 0.1305859 0.8900829 6 Ag 1.3500815 0.1105834 0.1755215 0.1401536 0.9697616 0.0536234 0.2175993 0.0298787 1.2183440 7 Ag 0.6856173 0.0695830 -0.2419235 -0.0098064 1.0171696 -0.1406302 -0.2488124 -0.2715291 1.0066003 8 Ag 0.8236890 0.0950271 0.0348204 0.0792935 1.4106806 -0.2264950 -0.0063222 -0.1305859 0.8900829 9 Ag 1.3500815 -0.1105834 0.1755215 -0.1401536 0.9697616 -0.0536234 0.2175993 -0.0298787 1.2183440 10 Ag 1.3500815 0.1105834 0.1755215 0.1401536 0.9697616 0.0536234 0.2175993 0.0298787 1.2183440 11 Ag 0.6856173 -0.0695830 -0.2419235 0.0098064 1.0171696 0.1406302 -0.2488124 0.2715291 1.0066003 12 Ag 0.8236890 -0.0950271 0.0348204 -0.0792935 1.4106806 0.2264950 -0.0063222 0.1305859 0.8900829 13 Sb 3.9368863 -0.4209941 0.4009651 -1.0658006 3.7880770 0.6435301 0.3620590 0.8302983 2.9637247 14 Sb 3.9368863 0.4209941 0.4009651 1.0658006 3.7880770 -0.6435301 0.3620590 -0.8302983 2.9637247 15 Sb 3.9368863 -0.4209941 0.4009651 -1.0658006 3.7880770 0.6435301 0.3620590 0.8302983 2.9637247 16 Sb 3.9368863 0.4209941 0.4009651 1.0658006 3.7880770 -0.6435301 0.3620590 -0.8302983 2.9637247 17 S -2.2691952 -0.6063096 0.3938073 -0.7879359 -1.9030654 0.1357700 0.4281514 -0.0912831 -2.5668105 18 S -2.2691952 0.6063096 0.3938073 0.7879359 -1.9030654 -0.1357700 0.4281514 0.0912831 -2.5668105 19 S -2.2691952 0.6063096 0.3938073 0.7879359 -1.9030654 -0.1357700 0.4281514 0.0912831 -2.5668105 20 S -1.8814311 0.7198979 -0.2938466 0.7296799 -2.5884458 0.7436653 -0.4114718 0.9596851 -1.8706747 21 S -2.6456479 0.5067347 -0.4693441 0.8777390 -2.6941775 0.0373797 -0.3412034 0.0688130 -1.6412668 22 S -2.6456479 -0.5067347 -0.4693441 -0.8777390 -2.6941775 -0.0373797 -0.3412034 -0.0688130 -1.6412668 23 S -2.2691952 -0.6063096 0.3938073 -0.7879359 -1.9030654 0.1357700 0.4281514 -0.0912831 -2.5668105 24 S -2.6456479 0.5067347 -0.4693441 0.8777390 -2.6941775 0.0373797 -0.3412034 0.0688130 -1.6412668 25 S -2.6456479 -0.5067347 -0.4693441 -0.8777390 -2.6941775 -0.0373797 -0.3412034 -0.0688130 -1.6412668 26 S -1.8814311 -0.7198979 -0.2938466 -0.7296799 -2.5884458 -0.7436653 -0.4114718 -0.9596851 -1.8706747 27 S -1.8814311 -0.7198979 -0.2938466 -0.7296799 -2.5884458 -0.7436653 -0.4114718 -0.9596851 -1.8706747 28 S -1.8814311 0.7198979 -0.2938466 0.7296799 -2.5884458 0.7436653 -0.4114718 0.9596851 -1.8706747 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 3 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.50, Number of G-points: 307, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/74) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.390 ( 0.000 0.000 0.000) 0.000 0.762 ( 0.000 0.000 0.000) 0.000 0.875 ( 0.000 0.000 0.000) 0.000 0.925 ( 0.000 0.000 0.000) 0.000 0.947 ( 0.000 0.000 0.000) 0.000 1.056 ( 0.000 0.000 0.000) 0.000 1.056 ( 0.000 0.000 0.000) 0.000 1.109 ( 0.000 0.000 0.000) 0.000 1.235 ( 0.000 0.000 0.000) 0.000 1.263 ( 0.000 0.000 0.000) 0.000 1.350 ( 0.000 0.000 0.000) 0.000 1.445 ( 0.000 0.000 0.000) 0.000 1.454 ( 0.000 0.000 0.000) 0.000 1.637 ( 0.000 0.000 0.000) 0.000 1.638 ( 0.000 0.000 0.000) 0.000 1.743 ( 0.000 0.000 0.000) 0.000 1.805 ( 0.000 0.000 0.000) 0.000 1.821 ( 0.000 0.000 0.000) 0.000 1.912 ( 0.000 0.000 0.000) 0.000 1.965 ( 0.000 0.000 0.000) 0.000 1.987 ( 0.000 0.000 0.000) 0.000 2.037 ( 0.000 0.000 0.000) 0.000 2.072 ( 0.000 0.000 0.000) 0.000 2.087 ( 0.000 0.000 0.000) 0.000 2.110 ( 0.000 0.000 0.000) 0.000 2.223 ( 0.000 0.000 0.000) 0.000 2.238 ( 0.000 0.000 0.000) 0.000 2.342 ( 0.000 0.000 0.000) 0.000 2.562 ( 0.000 0.000 0.000) 0.000 2.580 ( 0.000 0.000 0.000) 0.000 2.627 ( 0.000 0.000 0.000) 0.000 2.737 ( 0.000 0.000 0.000) 0.000 2.767 ( 0.000 0.000 0.000) 0.000 2.786 ( 0.000 0.000 0.000) 0.000 2.798 ( 0.000 0.000 0.000) 0.000 3.077 ( 0.000 0.000 0.000) 0.000 3.105 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 3.263 ( 0.000 0.000 0.000) 0.000 3.426 ( 0.000 0.000 0.000) 0.000 3.428 ( 0.000 0.000 0.000) 0.000 3.557 ( 0.000 0.000 0.000) 0.000 3.559 ( 0.000 0.000 0.000) 0.000 3.612 ( 0.000 0.000 0.000) 0.000 3.952 ( 0.000 0.000 0.000) 0.000 5.699 ( 0.000 0.000 0.000) 0.000 5.756 ( 0.000 0.000 0.000) 0.000 5.790 ( 0.000 0.000 0.000) 0.000 5.869 ( 0.000 0.000 0.000) 0.000 6.035 ( 0.000 0.000 0.000) 0.000 6.172 ( 0.000 0.000 0.000) 0.000 6.208 ( 0.000 0.000 0.000) 0.000 6.427 ( 0.000 0.000 0.000) 0.000 6.502 ( 0.000 0.000 0.000) 0.000 6.507 ( 0.000 0.000 0.000) 0.000 6.805 ( 0.000 0.000 0.000) 0.000 6.945 ( 0.000 0.000 0.000) 0.000 7.031 ( 0.000 0.000 0.000) 0.000 7.129 ( 0.000 0.000 0.000) 0.000 7.378 ( 0.000 0.000 0.000) 0.000 7.383 ( 0.000 0.000 0.000) 0.000 7.453 ( 0.000 0.000 0.000) 0.000 7.606 ( 0.000 0.000 0.000) 0.000 7.922 ( 0.000 0.000 0.000) 0.000 7.973 ( 0.000 0.000 0.000) 0.000 8.204 ( 0.000 0.000 0.000) 0.000 8.207 ( 0.000 0.000 0.000) 0.000 8.275 ( 0.000 0.000 0.000) 0.000 8.299 ( 0.000 0.000 0.000) 0.000 8.549 ( 0.000 0.000 0.000) 0.000 8.613 ( 0.000 0.000 0.000) 0.000 8.649 ( 0.000 0.000 0.000) 0.000 8.660 ( 0.000 0.000 0.000) 0.000 8.907 ( 0.000 0.000 0.000) 0.000 9.078 ( 0.000 0.000 0.000) 0.000 9.129 ( 0.000 0.000 0.000) 0.000 9.309 ( 0.000 0.000 0.000) 0.000 9.344 ( 0.000 0.000 0.000) 0.000 9.720 ( 0.000 0.000 0.000) 0.000 9.921 ( 0.000 0.000 0.000) 0.000 10.023 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/74) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.224 ( 8.685 0.000 4.220) 9.656 0.279 ( 9.721 0.000 8.874) 13.163 0.558 ( 21.493 0.000 7.280) 22.692 0.654 ( 12.877 0.000 6.811) 14.567 0.789 ( 1.623 0.000 1.654) 2.317 0.886 ( -1.060 0.000 -1.484) 1.824 0.909 ( 2.786 0.000 1.182) 3.026 0.924 ( 0.283 0.000 -2.822) 2.837 1.022 ( 0.682 0.000 -2.157) 2.262 1.140 ( 0.990 0.000 0.112) 0.996 1.183 ( 5.655 0.000 5.758) 8.071 1.268 ( -0.177 0.000 1.371) 1.383 1.287 ( 2.162 0.000 2.612) 3.391 1.357 ( 1.079 0.000 -0.487) 1.184 1.429 ( -1.738 0.000 0.209) 1.751 1.467 ( 0.891 0.000 2.637) 2.783 1.649 ( 0.673 0.000 -1.100) 1.290 1.675 ( 2.887 0.000 3.909) 4.859 1.712 ( -3.925 0.000 -0.856) 4.017 1.762 ( -3.395 0.000 -0.949) 3.525 1.798 ( -0.754 0.000 0.007) 0.755 1.905 ( -4.170 0.000 -1.800) 4.542 1.944 ( 1.759 0.000 1.745) 2.478 1.987 ( -2.216 0.000 -0.784) 2.351 1.994 ( -0.824 0.000 0.099) 0.830 2.081 ( 0.594 0.000 1.080) 1.232 2.117 ( -0.350 0.000 1.301) 1.347 2.129 ( 1.612 0.000 1.660) 2.314 2.191 ( -2.732 0.000 1.653) 3.193 2.279 ( 2.061 0.000 -0.593) 2.145 2.346 ( -0.332 0.000 -0.255) 0.419 2.563 ( 0.910 0.000 -1.643) 1.878 2.563 ( -2.332 0.000 -0.629) 2.415 2.606 ( -2.105 0.000 0.508) 2.165 2.727 ( 0.504 0.000 -3.844) 3.877 2.758 ( -2.390 0.000 4.560) 5.148 2.814 ( 1.703 0.000 -2.713) 3.203 2.849 ( 4.729 0.000 0.243) 4.735 3.029 ( -2.355 0.000 -4.013) 4.653 3.103 ( 1.945 0.000 -1.786) 2.641 3.159 ( -5.249 0.000 -2.067) 5.641 3.277 ( 0.353 0.000 -4.407) 4.421 3.347 ( -1.743 0.000 -1.405) 2.238 3.451 ( 0.308 0.000 0.286) 0.420 3.541 ( -1.611 0.000 -0.173) 1.620 3.592 ( 0.952 0.000 2.786) 2.944 3.696 ( 4.662 0.000 3.537) 5.852 3.965 ( 0.538 0.000 0.117) 0.551 5.697 ( -1.171 0.000 1.886) 2.220 5.755 ( 0.541 0.000 -1.992) 2.064 5.791 ( 1.067 0.000 -1.437) 1.790 5.891 ( 1.608 0.000 0.143) 1.614 6.126 ( 6.608 0.000 4.272) 7.868 6.180 ( -2.917 0.000 0.363) 2.940 6.418 ( -1.419 0.000 0.237) 1.439 6.518 ( 2.038 0.000 -0.707) 2.157 6.543 ( 2.814 0.000 2.374) 3.682 6.796 ( -0.713 0.000 0.160) 0.731 6.859 ( 3.378 0.000 -13.483) 13.900 6.937 ( -1.838 0.000 3.601) 4.043 6.978 ( -4.024 0.000 -1.598) 4.329 7.084 ( -3.622 0.000 -2.904) 4.642 7.369 ( 1.571 0.000 -0.324) 1.604 7.423 ( -0.407 0.000 4.781) 4.798 7.434 ( -2.646 0.000 1.465) 3.025 7.619 ( 3.682 0.000 -4.420) 5.753 7.926 ( -0.581 0.000 -4.116) 4.157 8.128 ( -2.862 0.000 10.653) 11.031 8.174 ( -1.060 0.000 -1.331) 1.701 8.199 ( 1.035 0.000 -3.217) 3.380 8.292 ( 0.349 0.000 -0.067) 0.356 8.456 ( -1.282 0.000 -6.187) 6.318 8.600 ( -1.348 0.000 0.761) 1.548 8.613 ( 5.429 0.000 -3.237) 6.321 8.674 ( 2.502 0.000 -0.145) 2.506 8.692 ( 1.799 0.000 1.447) 2.309 8.907 ( 0.233 0.000 -0.142) 0.273 9.087 ( -3.959 0.000 -0.045) 3.960 9.132 ( -5.694 0.000 7.477) 9.398 9.332 ( 2.115 0.000 -0.420) 2.156 9.333 ( -1.478 0.000 0.365) 1.523 9.687 ( -2.195 0.000 -1.978) 2.954 9.909 ( -0.771 0.000 -1.154) 1.388 10.046 ( -3.704 0.000 1.055) 3.852 ======================= Grid point 2 (3/74) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( 6.811 0.000 3.580) 7.695 0.511 ( 7.966 0.000 5.316) 9.577 0.664 ( -7.378 0.000 -4.457) 8.620 0.837 ( 2.019 0.000 1.519) 2.526 0.853 ( 8.018 0.000 -1.029) 8.083 0.911 ( 0.021 0.000 -2.368) 2.369 0.975 ( 2.183 0.000 1.331) 2.556 0.994 ( 4.719 0.000 4.015) 6.196 1.031 ( 2.952 0.000 -2.048) 3.593 1.241 ( 5.998 0.000 2.201) 6.389 1.260 ( -0.608 0.000 3.638) 3.688 1.324 ( -0.088 0.000 1.733) 1.735 1.324 ( 2.869 0.000 0.295) 2.884 1.402 ( 3.560 0.000 -0.196) 3.565 1.403 ( -0.846 0.000 0.839) 1.192 1.521 ( -3.088 0.000 4.065) 5.105 1.633 ( -1.053 0.000 -0.559) 1.192 1.673 ( 3.152 0.000 1.571) 3.522 1.698 ( -0.172 0.000 0.203) 0.266 1.805 ( 0.231 0.000 2.177) 2.190 1.810 ( 0.766 0.000 1.892) 2.041 1.850 ( 4.249 0.000 4.399) 6.116 1.952 ( -2.180 0.000 1.258) 2.517 1.988 ( 1.995 0.000 -0.712) 2.118 2.014 ( 1.668 0.000 4.279) 4.593 2.105 ( -1.716 0.000 -0.610) 1.822 2.112 ( 0.522 0.000 2.078) 2.142 2.164 ( 1.537 0.000 0.432) 1.597 2.173 ( -0.958 0.000 3.252) 3.390 2.293 ( -0.152 0.000 -0.387) 0.416 2.336 ( -0.603 0.000 0.396) 0.721 2.501 ( -2.372 0.000 0.586) 2.444 2.542 ( -0.280 0.000 -3.983) 3.993 2.594 ( -0.012 0.000 0.917) 0.917 2.681 ( -2.475 0.000 -3.576) 4.349 2.730 ( -0.964 0.000 -3.075) 3.222 2.792 ( -1.799 0.000 2.661) 3.212 2.886 ( -1.812 0.000 -2.442) 3.041 3.009 ( 3.978 0.000 -4.591) 6.075 3.106 ( 1.693 0.000 -0.471) 1.757 3.131 ( 2.305 0.000 -1.257) 2.625 3.222 ( 0.260 0.000 -4.956) 4.962 3.341 ( 0.608 0.000 -0.172) 0.631 3.459 ( 0.343 0.000 0.227) 0.411 3.482 ( -4.454 0.000 -0.822) 4.529 3.616 ( -1.175 0.000 2.357) 2.634 3.798 ( 2.798 0.000 2.332) 3.643 3.951 ( -1.719 0.000 -0.974) 1.975 5.685 ( -1.300 0.000 0.313) 1.337 5.736 ( -0.604 0.000 -1.327) 1.458 5.800 ( 1.139 0.000 -1.878) 2.196 5.918 ( 2.190 0.000 -1.914) 2.909 6.112 ( -4.120 0.000 -0.524) 4.153 6.292 ( 2.962 0.000 8.582) 9.079 6.371 ( -3.775 0.000 0.784) 3.856 6.548 ( 2.026 0.000 -1.890) 2.771 6.634 ( 2.248 0.000 5.380) 5.831 6.796 ( -1.143 0.000 -2.203) 2.482 6.806 ( 2.198 0.000 -0.388) 2.232 6.884 ( -2.427 0.000 -5.108) 5.655 6.934 ( -4.187 0.000 2.733) 5.000 6.998 ( 1.597 0.000 -3.041) 3.435 7.394 ( -2.593 0.000 1.513) 3.002 7.396 ( 1.207 0.000 -1.174) 1.684 7.471 ( 0.170 0.000 6.600) 6.603 7.661 ( 5.022 0.000 -4.983) 7.074 7.909 ( 2.634 0.000 -4.066) 4.845 8.137 ( -0.760 0.000 0.215) 0.790 8.156 ( -0.079 0.000 -0.839) 0.843 8.198 ( -0.394 0.000 0.877) 0.962 8.276 ( -0.871 0.000 -1.403) 1.652 8.357 ( -5.690 0.000 -1.136) 5.802 8.589 ( -0.927 0.000 2.239) 2.423 8.679 ( 3.017 0.000 0.154) 3.021 8.722 ( 0.104 0.000 0.252) 0.273 8.724 ( 3.084 0.000 -1.504) 3.431 8.921 ( 0.837 0.000 0.613) 1.037 9.001 ( -4.334 0.000 -0.694) 4.389 9.108 ( -1.933 0.000 4.008) 4.449 9.295 ( -2.408 0.000 -0.557) 2.472 9.366 ( 1.430 0.000 0.128) 1.435 9.617 ( -2.520 0.000 -2.833) 3.792 9.871 ( -1.661 0.000 -2.004) 2.603 9.971 ( -3.818 0.000 -1.091) 3.971 ======================= Grid point 3 (4/74) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( -11.728 0.000 -4.951) 12.731 0.534 ( 3.436 0.000 2.302) 4.136 0.671 ( 5.724 0.000 1.672) 5.963 0.879 ( -0.223 0.000 -2.237) 2.248 0.882 ( 1.356 0.000 1.304) 1.881 0.942 ( 3.947 0.000 -1.998) 4.424 1.014 ( 0.652 0.000 1.231) 1.393 1.069 ( 0.488 0.000 2.071) 2.128 1.085 ( 3.974 0.000 0.015) 3.974 1.260 ( -1.418 0.000 -1.323) 1.940 1.290 ( -0.925 0.000 3.591) 3.708 1.343 ( -0.883 0.000 1.329) 1.595 1.357 ( 2.014 0.000 -1.912) 2.778 1.442 ( 1.517 0.000 -2.234) 2.700 1.461 ( 4.293 0.000 4.217) 6.018 1.489 ( -1.825 0.000 6.143) 6.408 1.623 ( -0.058 0.000 -0.079) 0.098 1.631 ( -1.591 0.000 -2.780) 3.203 1.769 ( 0.225 0.000 -2.277) 2.289 1.792 ( -0.642 0.000 0.401) 0.757 1.868 ( -2.551 0.000 4.222) 4.932 1.962 ( 5.353 0.000 2.017) 5.720 1.970 ( 1.691 0.000 -0.085) 1.693 2.003 ( 1.151 0.000 -1.658) 2.018 2.038 ( -3.161 0.000 -1.277) 3.409 2.097 ( 0.917 0.000 3.622) 3.736 2.126 ( 0.272 0.000 2.005) 2.024 2.199 ( 1.147 0.000 -0.419) 1.221 2.200 ( -0.747 0.000 0.644) 0.986 2.292 ( 0.293 0.000 0.817) 0.868 2.361 ( 1.694 0.000 5.404) 5.664 2.508 ( 0.715 0.000 -4.115) 4.177 2.535 ( 2.099 0.000 4.865) 5.299 2.595 ( 1.846 0.000 -0.911) 2.059 2.643 ( -1.456 0.000 4.189) 4.434 2.702 ( 1.972 0.000 -5.278) 5.634 2.787 ( -2.132 0.000 3.042) 3.715 2.816 ( -1.763 0.000 0.077) 1.765 3.065 ( 6.931 0.000 -5.604) 8.913 3.066 ( -3.012 0.000 -5.959) 6.677 3.160 ( 1.743 0.000 -0.926) 1.974 3.264 ( 4.588 0.000 -0.299) 4.598 3.352 ( 0.562 0.000 -0.115) 0.574 3.357 ( -8.134 0.000 -0.322) 8.140 3.471 ( 0.675 0.000 0.469) 0.822 3.593 ( -2.399 0.000 0.893) 2.560 3.831 ( -0.518 0.000 -0.296) 0.597 3.904 ( -1.627 0.000 -0.256) 1.648 5.653 ( -1.339 0.000 -1.174) 1.780 5.722 ( -0.368 0.000 0.093) 0.380 5.790 ( -0.531 0.000 -1.310) 1.413 5.947 ( 2.721 0.000 -2.025) 3.391 6.030 ( -3.469 0.000 -0.588) 3.518 6.312 ( -2.022 0.000 -0.162) 2.028 6.352 ( -4.059 0.000 7.404) 8.444 6.544 ( 0.064 0.000 -2.877) 2.878 6.695 ( -1.112 0.000 6.752) 6.843 6.797 ( -0.046 0.000 -6.289) 6.290 6.818 ( 1.068 0.000 2.198) 2.444 6.854 ( -3.104 0.000 -0.748) 3.193 6.858 ( 3.053 0.000 -0.333) 3.071 7.101 ( 7.780 0.000 1.397) 7.905 7.375 ( -1.954 0.000 -2.774) 3.393 7.376 ( -0.405 0.000 0.783) 0.882 7.539 ( 1.266 0.000 4.871) 5.032 7.699 ( 2.169 0.000 -2.510) 3.317 7.944 ( 3.692 0.000 -1.918) 4.160 8.125 ( 1.528 0.000 -4.516) 4.768 8.144 ( -0.422 0.000 -1.030) 1.113 8.192 ( -1.104 0.000 1.050) 1.524 8.237 ( -7.030 0.000 2.300) 7.397 8.255 ( 0.113 0.000 -1.131) 1.137 8.612 ( 0.902 0.000 2.225) 2.401 8.714 ( -0.538 0.000 1.106) 1.230 8.725 ( 1.529 0.000 0.499) 1.608 8.753 ( 1.346 0.000 -1.170) 1.784 8.879 ( -4.280 0.000 -2.859) 5.147 8.974 ( 0.709 0.000 1.220) 1.411 9.131 ( 0.388 0.000 3.712) 3.732 9.240 ( -2.167 0.000 -1.712) 2.762 9.387 ( 0.436 0.000 0.653) 0.785 9.555 ( -1.412 0.000 -2.273) 2.676 9.820 ( -1.616 0.000 -1.793) 2.414 9.899 ( -2.479 0.000 -1.020) 2.680 ======================= Grid point 4 (5/74) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.242 ( 0.000 0.000 0.000) 0.000 0.573 ( 0.000 0.000 0.000) 0.000 0.739 ( 0.000 0.000 0.000) 0.000 0.872 ( 0.000 0.000 0.000) 0.000 0.905 ( 0.000 0.000 0.000) 0.000 0.976 ( -0.000 0.000 0.000) 0.000 1.010 ( 0.000 0.000 -0.000) 0.000 1.077 ( 0.000 0.000 0.000) 0.000 1.142 ( 0.000 0.000 0.000) 0.000 1.243 ( 0.000 0.000 0.000) 0.000 1.274 ( 0.000 0.000 -0.000) 0.000 1.337 ( 0.000 0.000 -0.000) 0.000 1.372 ( 0.000 0.000 -0.000) 0.000 1.449 ( 0.000 0.000 -0.000) 0.000 1.536 ( 0.000 0.000 0.000) 0.000 1.548 ( 0.000 0.000 -0.000) 0.000 1.579 ( 0.000 0.000 0.000) 0.000 1.616 ( 0.000 0.000 0.000) 0.000 1.743 ( 0.000 0.000 0.000) 0.000 1.794 ( 0.000 0.000 0.000) 0.000 1.845 ( 0.000 0.000 0.000) 0.000 1.923 ( 0.000 0.000 0.000) 0.000 1.999 ( 0.000 0.000 0.000) 0.000 2.032 ( 0.000 0.000 0.000) 0.000 2.042 ( 0.000 0.000 0.000) 0.000 2.118 ( 0.000 0.000 -0.000) 0.000 2.168 ( -0.000 0.000 -0.000) 0.000 2.185 ( 0.000 0.000 0.000) 0.000 2.190 ( 0.000 0.000 0.000) 0.000 2.296 ( 0.000 0.000 0.000) 0.000 2.407 ( 0.000 0.000 -0.000) 0.000 2.496 ( 0.000 0.000 0.000) 0.000 2.576 ( 0.000 0.000 0.000) 0.000 2.627 ( 0.000 0.000 -0.000) 0.000 2.660 ( -0.000 0.000 0.000) 0.000 2.724 ( -0.000 0.000 0.000) 0.000 2.759 ( 0.000 0.000 -0.000) 0.000 2.849 ( 0.000 0.000 0.000) 0.000 2.965 ( 0.000 0.000 0.000) 0.000 3.149 ( -0.000 0.000 0.000) 0.000 3.194 ( 0.000 0.000 -0.000) 0.000 3.206 ( -0.000 0.000 0.000) 0.000 3.311 ( 0.000 0.000 -0.000) 0.000 3.357 ( 0.000 0.000 0.000) 0.000 3.485 ( 0.000 0.000 0.000) 0.000 3.568 ( 0.000 0.000 0.000) 0.000 3.809 ( 0.000 0.000 0.000) 0.000 3.893 ( 0.000 0.000 0.000) 0.000 5.632 ( 0.000 0.000 -0.000) 0.000 5.719 ( 0.000 0.000 0.000) 0.000 5.775 ( 0.000 0.000 0.000) 0.000 5.967 ( 0.000 0.000 0.000) 0.000 5.992 ( 0.000 0.000 0.000) 0.000 6.301 ( -0.000 0.000 0.000) 0.000 6.328 ( 0.000 0.000 -0.000) 0.000 6.527 ( 0.000 0.000 0.000) 0.000 6.730 ( 0.000 0.000 -0.000) 0.000 6.747 ( -0.000 0.000 0.000) 0.000 6.821 ( 0.000 0.000 0.000) 0.000 6.849 ( 0.000 0.000 -0.000) 0.000 6.890 ( 0.000 0.000 0.000) 0.000 7.246 ( -0.000 0.000 -0.000) 0.000 7.285 ( 0.000 0.000 0.000) 0.000 7.380 ( 0.000 0.000 0.000) 0.000 7.581 ( 0.000 0.000 -0.000) 0.000 7.702 ( 0.000 0.000 0.000) 0.000 7.984 ( 0.000 0.000 0.000) 0.000 8.109 ( 0.000 0.000 -0.000) 0.000 8.132 ( 0.000 0.000 0.000) 0.000 8.175 ( 0.000 0.000 -0.000) 0.000 8.185 ( -0.000 0.000 0.000) 0.000 8.254 ( 0.000 0.000 0.000) 0.000 8.632 ( 0.000 0.000 0.000) 0.000 8.742 ( 0.000 0.000 0.000) 0.000 8.760 ( 0.000 0.000 0.000) 0.000 8.760 ( 0.000 0.000 0.000) 0.000 8.773 ( -0.000 0.000 -0.000) 0.000 8.989 ( 0.000 0.000 0.000) 0.000 9.168 ( 0.000 0.000 0.000) 0.000 9.197 ( 0.000 0.000 -0.000) 0.000 9.394 ( 0.000 0.000 0.000) 0.000 9.531 ( 0.000 0.000 0.000) 0.000 9.793 ( 0.000 0.000 0.000) 0.000 9.870 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/74) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.183 ( 0.000 8.396 0.000) 8.396 0.341 ( 0.000 15.154 0.000) 15.154 0.353 ( 0.000 -6.765 0.000) 6.765 0.626 ( 0.000 -4.536 0.000) 4.536 0.715 ( 0.000 17.252 0.000) 17.252 0.864 ( 0.000 4.384 0.000) 4.384 0.926 ( 0.000 -0.954 0.000) 0.954 0.977 ( 0.000 -5.065 0.000) 5.065 1.046 ( 0.000 3.460 0.000) 3.460 1.130 ( 0.000 -1.180 0.000) 1.180 1.195 ( 0.000 4.814 0.000) 4.814 1.284 ( 0.000 2.107 0.000) 2.107 1.315 ( 0.000 -3.615 0.000) 3.615 1.345 ( 0.000 7.504 0.000) 7.504 1.370 ( 0.000 -5.644 0.000) 5.644 1.468 ( 0.000 -1.963 0.000) 1.963 1.604 ( 0.000 -1.509 0.000) 1.509 1.619 ( 0.000 -1.738 0.000) 1.738 1.741 ( 0.000 0.439 0.000) 0.439 1.775 ( 0.000 -2.169 0.000) 2.169 1.810 ( 0.000 -0.546 0.000) 0.546 1.835 ( 0.000 -3.770 0.000) 3.770 1.970 ( 0.000 0.543 0.000) 0.543 1.984 ( 0.000 -0.429 0.000) 0.429 2.067 ( 0.000 1.773 0.000) 1.773 2.091 ( 0.000 -0.003 0.000) 0.003 2.116 ( 0.000 2.087 0.000) 2.087 2.121 ( 0.000 0.829 0.000) 0.829 2.225 ( 0.000 0.201 0.000) 0.201 2.242 ( 0.000 -0.375 0.000) 0.375 2.344 ( 0.000 0.203 0.000) 0.203 2.399 ( 0.000 -6.423 0.000) 6.423 2.612 ( 0.000 0.904 0.000) 0.904 2.661 ( 0.000 -4.401 0.000) 4.401 2.704 ( 0.000 2.308 0.000) 2.308 2.742 ( 0.000 -2.404 0.000) 2.404 2.768 ( 0.000 0.199 0.000) 0.199 2.779 ( 0.000 -0.848 0.000) 0.848 3.080 ( 0.000 1.094 0.000) 1.094 3.100 ( 0.000 -0.427 0.000) 0.427 3.278 ( 0.000 1.323 0.000) 1.323 3.297 ( 0.000 0.793 0.000) 0.793 3.388 ( 0.000 -1.998 0.000) 1.998 3.396 ( 0.000 -2.326 0.000) 2.326 3.586 ( 0.000 1.309 0.000) 1.309 3.588 ( 0.000 1.253 0.000) 1.253 3.734 ( 0.000 8.857 0.000) 8.857 3.903 ( 0.000 -5.690 0.000) 5.690 5.694 ( 0.000 0.244 0.000) 0.244 5.719 ( 0.000 -1.952 0.000) 1.952 5.927 ( 0.000 3.329 0.000) 3.329 5.930 ( 0.000 3.127 0.000) 3.127 6.154 ( 0.000 -0.752 0.000) 0.752 6.171 ( 0.000 -1.812 0.000) 1.812 6.272 ( 0.000 1.907 0.000) 1.907 6.351 ( 0.000 -4.935 0.000) 4.935 6.501 ( 0.000 0.484 0.000) 0.484 6.519 ( 0.000 -0.145 0.000) 0.145 6.864 ( 0.000 3.836 0.000) 3.836 6.928 ( 0.000 -1.676 0.000) 1.676 7.062 ( 0.000 3.015 0.000) 3.015 7.158 ( 0.000 -4.976 0.000) 4.976 7.364 ( 0.000 0.376 0.000) 0.376 7.383 ( 0.000 -0.502 0.000) 0.502 7.507 ( 0.000 2.662 0.000) 2.662 7.558 ( 0.000 -2.743 0.000) 2.743 7.974 ( 0.000 2.931 0.000) 2.931 7.991 ( 0.000 1.048 0.000) 1.048 8.198 ( 0.000 -0.243 0.000) 0.243 8.207 ( 0.000 0.657 0.000) 0.657 8.234 ( 0.000 -3.660 0.000) 3.660 8.253 ( 0.000 -3.293 0.000) 3.293 8.579 ( 0.000 2.039 0.000) 2.039 8.614 ( 0.000 -1.010 0.000) 1.010 8.747 ( 0.000 7.702 0.000) 7.702 8.866 ( 0.000 3.142 0.000) 3.142 8.908 ( 0.000 -4.937 0.000) 4.937 8.976 ( 0.000 -5.447 0.000) 5.447 9.225 ( 0.000 4.863 0.000) 4.863 9.312 ( 0.000 -2.915 0.000) 2.915 9.723 ( 0.000 0.388 0.000) 0.388 9.742 ( 0.000 -1.365 0.000) 1.365 9.958 ( 0.000 2.576 0.000) 2.576 10.006 ( 0.000 -1.566 0.000) 1.566 ======================= Grid point 10 (7/74) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.397 ( 7.647 8.525 5.779) 12.828 0.445 ( 9.807 5.454 3.798) 11.847 0.609 ( 12.259 -0.704 4.006) 12.916 0.694 ( 1.049 -2.097 -0.826) 2.486 0.782 ( 7.928 5.898 3.385) 10.445 0.867 ( 0.464 3.326 0.189) 3.364 0.904 ( -0.184 -0.819 -0.780) 1.146 0.962 ( -0.091 -3.092 -1.468) 3.424 1.075 ( 2.156 4.941 0.367) 5.403 1.130 ( 2.082 0.810 2.268) 3.184 1.206 ( 2.109 2.800 3.813) 5.179 1.309 ( 1.952 -1.380 -0.868) 2.543 1.329 ( 0.819 2.680 2.344) 3.654 1.367 ( 1.584 4.177 0.178) 4.470 1.406 ( 2.377 -3.083 1.859) 4.314 1.456 ( -0.983 -1.391 2.262) 2.832 1.604 ( -1.680 -1.783 1.899) 3.100 1.637 ( -0.034 -2.501 1.136) 2.747 1.717 ( -1.385 1.400 -0.143) 1.974 1.778 ( 0.625 -1.470 -0.599) 1.706 1.805 ( -0.251 0.861 1.127) 1.441 1.861 ( 0.660 -4.934 2.354) 5.506 1.935 ( -2.999 2.105 -2.276) 4.313 1.952 ( -0.399 -0.037 -0.518) 0.655 2.074 ( 0.107 0.976 0.031) 0.983 2.082 ( -0.955 3.423 0.144) 3.556 2.118 ( -0.522 -1.056 1.411) 1.838 2.131 ( 0.614 -0.831 0.290) 1.073 2.211 ( -1.442 1.538 1.861) 2.812 2.255 ( 0.386 -2.413 -0.062) 2.445 2.346 ( 0.101 0.592 -0.203) 0.634 2.402 ( -0.430 -5.798 0.972) 5.895 2.604 ( -0.809 1.221 0.010) 1.465 2.652 ( 0.247 -1.966 -2.089) 2.879 2.687 ( -0.855 0.201 0.197) 0.900 2.723 ( -1.976 -1.886 1.767) 3.253 2.811 ( 1.937 0.345 -1.267) 2.340 2.835 ( 3.889 -1.340 0.283) 4.123 3.010 ( -2.779 -0.040 -4.960) 5.686 3.041 ( -1.160 -2.422 -6.496) 7.030 3.208 ( -2.938 3.122 -1.185) 4.447 3.288 ( -2.555 -3.992 -1.678) 5.028 3.365 ( 1.171 4.018 -1.303) 4.383 3.424 ( 0.745 -1.909 -0.104) 2.052 3.588 ( -0.416 2.287 1.178) 2.606 3.607 ( 0.503 0.529 1.943) 2.076 3.786 ( 2.663 6.898 2.145) 7.699 3.924 ( 0.881 -4.523 0.689) 4.659 5.688 ( -0.694 -0.222 0.235) 0.765 5.699 ( -0.440 -1.424 -0.964) 1.775 5.913 ( -0.661 4.517 0.012) 4.565 5.933 ( -0.379 2.140 1.394) 2.582 6.182 ( 5.967 5.846 -0.185) 8.355 6.242 ( -0.631 3.956 1.354) 4.229 6.347 ( 0.600 -4.302 1.091) 4.479 6.409 ( 7.018 -11.747 -2.438) 13.899 6.540 ( 1.804 -0.347 1.437) 2.333 6.571 ( 5.110 -6.068 1.796) 8.133 6.866 ( 0.322 4.274 -1.482) 4.535 6.952 ( 1.388 -1.242 0.380) 1.901 7.005 ( -3.424 0.802 1.313) 3.754 7.038 ( -7.462 -2.428 -0.936) 7.902 7.402 ( 1.277 2.216 0.641) 2.637 7.414 ( -0.844 0.497 2.848) 3.011 7.467 ( -2.507 2.153 0.378) 3.326 7.571 ( 1.803 -5.976 -1.499) 6.420 7.964 ( 1.371 4.079 -3.543) 5.574 8.045 ( 1.015 -3.051 3.571) 4.805 8.173 ( 1.153 -0.775 -4.614) 4.819 8.201 ( -0.930 -1.372 -1.442) 2.197 8.251 ( 0.484 -2.009 1.558) 2.589 8.277 ( 1.656 -2.636 1.623) 3.511 8.598 ( 0.811 1.132 0.454) 1.465 8.622 ( 0.639 -0.748 0.356) 1.046 8.760 ( 1.065 7.140 0.529) 7.239 8.857 ( -0.551 3.326 -1.008) 3.519 8.913 ( 0.866 -1.838 -0.508) 2.094 8.992 ( -0.656 -5.987 2.035) 6.358 9.185 ( -3.268 4.418 -0.041) 5.496 9.263 ( -3.102 -2.622 -1.338) 4.277 9.573 ( -7.039 7.886 -4.119) 11.345 9.669 ( -3.761 -2.140 -2.809) 5.159 9.944 ( -1.075 2.968 -0.336) 3.174 10.010 ( -1.972 -2.704 0.651) 3.410 ======================= Grid point 11 (8/74) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 1.770 7.942 0.521) 8.154 0.605 ( 5.968 6.652 3.492) 9.595 0.675 ( -3.196 -3.062 -0.623) 4.470 0.767 ( 6.367 -6.007 -1.049) 8.816 0.827 ( 0.493 1.433 -0.621) 1.638 0.876 ( 0.406 -2.033 -1.015) 2.308 0.968 ( 1.629 0.140 0.407) 1.685 0.991 ( 4.437 -1.691 0.184) 4.752 1.136 ( 3.028 6.938 2.117) 7.861 1.239 ( 2.577 -1.942 2.795) 4.269 1.311 ( 3.715 1.165 1.299) 4.104 1.340 ( 1.417 -0.252 -0.667) 1.586 1.382 ( -0.252 4.774 -0.489) 4.806 1.393 ( 0.394 1.145 -0.911) 1.516 1.430 ( 4.079 5.579 3.467) 7.732 1.539 ( -1.005 1.495 4.573) 4.915 1.604 ( 1.454 -3.635 3.297) 5.118 1.611 ( 1.631 -4.084 2.092) 4.870 1.709 ( -0.711 2.620 0.232) 2.724 1.778 ( -1.584 -2.661 0.190) 3.103 1.813 ( -1.095 0.571 0.704) 1.422 1.893 ( 0.790 -5.035 -1.792) 5.403 1.929 ( 3.686 4.256 5.279) 7.718 2.001 ( 3.870 0.520 5.007) 6.349 2.068 ( -0.123 3.166 1.495) 3.504 2.086 ( -1.995 -1.660 0.233) 2.606 2.096 ( 1.044 -0.066 1.708) 2.003 2.147 ( 0.283 -1.809 -0.167) 1.839 2.213 ( -0.650 2.693 2.468) 3.710 2.250 ( -0.348 -2.639 0.155) 2.667 2.335 ( -0.872 0.034 -0.246) 0.906 2.392 ( -1.688 -4.794 0.832) 5.150 2.586 ( -0.846 1.017 -0.177) 1.334 2.643 ( 0.451 -1.826 -2.077) 2.803 2.675 ( -1.684 1.858 0.106) 2.510 2.682 ( -1.127 0.532 -2.825) 3.088 2.766 ( -3.787 -1.181 -0.371) 3.984 2.824 ( -1.733 -4.099 -2.333) 5.024 3.008 ( 5.103 0.674 -4.447) 6.802 3.059 ( 6.701 -3.457 -1.538) 7.696 3.158 ( -0.845 2.886 -2.442) 3.874 3.221 ( -1.809 -2.523 -3.074) 4.369 3.373 ( 0.380 2.962 -0.819) 3.096 3.417 ( -0.936 -1.252 -0.984) 1.847 3.579 ( -1.763 3.826 0.897) 4.307 3.619 ( -1.433 -0.209 1.920) 2.405 3.839 ( 1.088 3.686 1.267) 4.047 3.922 ( -1.267 -2.910 -0.422) 3.202 5.674 ( -0.654 -0.542 -0.718) 1.112 5.683 ( -0.076 -1.711 -1.759) 2.455 5.901 ( -0.842 4.645 -0.033) 4.721 5.937 ( 0.110 0.835 -0.183) 0.862 6.186 ( -1.511 6.223 -2.036) 6.720 6.296 ( -0.734 -1.685 3.482) 3.938 6.358 ( -0.320 1.001 2.858) 3.045 6.463 ( 1.186 -7.108 -1.756) 7.417 6.609 ( 1.862 -1.071 4.517) 5.002 6.652 ( 1.956 -6.413 2.964) 7.330 6.830 ( -0.439 2.508 -3.672) 4.469 6.908 ( -3.268 -3.347 -3.111) 5.618 6.981 ( -0.055 5.617 2.702) 6.234 7.038 ( 3.819 1.547 0.966) 4.232 7.351 ( -2.653 -0.117 -1.343) 2.975 7.398 ( -0.824 -2.355 -1.289) 2.808 7.513 ( 2.517 3.321 4.293) 5.983 7.605 ( 3.024 -4.428 -1.120) 5.478 7.964 ( 1.708 4.343 -2.823) 5.454 8.068 ( -0.645 -4.848 2.472) 5.480 8.154 ( 1.842 -0.025 -6.192) 6.460 8.185 ( 0.568 -2.180 -1.660) 2.798 8.256 ( -1.618 0.607 1.661) 2.397 8.296 ( -1.677 -2.479 1.552) 3.372 8.603 ( -0.305 1.427 1.324) 1.971 8.648 ( 1.209 -2.287 0.778) 2.701 8.778 ( -0.058 5.363 -0.375) 5.377 8.827 ( -0.872 3.494 -1.718) 3.990 8.919 ( -0.555 -0.902 -0.083) 1.062 8.960 ( -2.943 -3.055 0.369) 4.259 9.149 ( -1.027 3.347 1.952) 4.008 9.227 ( -0.454 -3.677 0.297) 3.717 9.464 ( -2.540 5.841 -1.985) 6.671 9.574 ( -3.114 -3.858 -2.988) 5.788 9.905 ( -2.080 2.572 -1.472) 3.621 9.955 ( -3.162 -1.604 -1.085) 3.708 ======================= Grid point 12 (9/74) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( 0.648 4.504 1.255) 4.720 0.613 ( -1.567 3.677 -0.791) 4.074 0.709 ( 2.644 2.662 0.604) 3.800 0.833 ( 0.911 -5.544 -0.495) 5.640 0.862 ( 4.406 1.495 -0.478) 4.677 0.903 ( 3.486 -0.696 -1.899) 4.030 0.997 ( 0.867 0.292 1.344) 1.626 1.039 ( 0.647 -2.464 0.151) 2.552 1.212 ( 1.634 6.979 3.416) 7.940 1.272 ( -2.413 0.977 1.533) 3.021 1.288 ( -0.848 1.511 -1.893) 2.566 1.367 ( 0.280 1.379 -0.700) 1.572 1.371 ( 0.204 -0.898 0.882) 1.276 1.410 ( 2.115 -1.913 -1.192) 3.091 1.483 ( 1.276 3.979 3.051) 5.174 1.585 ( 0.816 0.370 0.938) 1.297 1.611 ( 1.276 3.872 2.927) 5.019 1.672 ( -1.736 3.313 -1.293) 3.958 1.728 ( 2.168 -3.240 -0.701) 3.961 1.753 ( -0.664 -1.622 -0.346) 1.786 1.803 ( -1.164 -4.414 3.065) 5.499 1.854 ( -2.233 -7.334 -3.102) 8.270 2.012 ( 1.644 1.345 0.663) 2.226 2.042 ( -1.252 -1.395 0.606) 1.970 2.071 ( -0.472 4.425 1.174) 4.602 2.124 ( 0.479 0.673 2.000) 2.164 2.144 ( 0.539 1.555 -0.688) 1.784 2.170 ( 1.088 -0.842 1.739) 2.217 2.216 ( 0.182 2.210 2.551) 3.380 2.312 ( 0.267 1.975 1.323) 2.392 2.320 ( 1.819 -5.478 2.995) 6.503 2.373 ( -0.175 -3.619 1.365) 3.871 2.587 ( 1.414 0.269 0.464) 1.512 2.617 ( 0.351 -1.305 1.502) 2.021 2.663 ( 2.417 -1.436 -3.658) 4.614 2.685 ( 0.307 2.464 0.983) 2.670 2.718 ( -1.362 0.322 3.680) 3.937 2.814 ( 0.708 -2.575 1.141) 2.904 3.042 ( 1.583 0.244 -6.459) 6.654 3.083 ( 0.636 -1.476 -6.327) 6.528 3.186 ( 1.225 0.621 -1.128) 1.778 3.201 ( 4.514 -1.734 0.309) 4.846 3.357 ( -1.940 1.536 -0.662) 2.562 3.375 ( -1.869 0.178 -0.763) 2.027 3.548 ( -1.579 3.840 0.508) 4.183 3.592 ( -2.358 -0.444 0.846) 2.545 3.845 ( -0.925 1.367 -0.230) 1.667 3.884 ( -1.665 -1.728 -0.304) 2.419 5.649 ( -0.687 -0.038 -1.424) 1.581 5.669 ( -0.133 -2.099 -0.995) 2.327 5.879 ( -1.140 4.610 -0.310) 4.759 5.932 ( -0.339 -0.618 -0.491) 0.859 6.148 ( -0.615 8.034 -1.130) 8.136 6.286 ( -1.305 -3.509 1.384) 3.992 6.351 ( -3.514 1.210 3.372) 5.018 6.441 ( -1.062 -6.875 -1.542) 7.126 6.667 ( 0.024 -0.886 4.829) 4.909 6.718 ( 1.123 -5.401 3.539) 6.554 6.796 ( -0.157 1.361 -3.068) 3.360 6.838 ( -2.014 -1.751 -1.612) 3.118 7.001 ( 1.361 8.707 -0.529) 8.828 7.134 ( 4.437 -1.110 1.063) 4.696 7.326 ( 1.297 0.501 -1.477) 2.028 7.389 ( 0.387 -2.169 -0.804) 2.345 7.586 ( 1.340 3.352 3.263) 4.867 7.655 ( 2.819 -3.033 -0.886) 4.235 7.978 ( 1.750 2.999 -1.067) 3.632 8.073 ( 0.015 -5.206 -0.987) 5.299 8.143 ( 1.297 1.214 -1.729) 2.479 8.179 ( 0.470 -1.867 -2.240) 2.953 8.222 ( -3.312 1.544 1.483) 3.944 8.258 ( -2.521 -1.024 0.630) 2.793 8.632 ( 1.657 1.270 2.375) 3.162 8.676 ( 0.964 -2.393 0.728) 2.680 8.745 ( -1.773 2.836 -0.786) 3.436 8.800 ( -1.619 0.298 -1.357) 2.134 8.872 ( -2.435 1.298 -1.270) 3.038 8.938 ( -0.395 -2.992 0.548) 3.067 9.169 ( 0.543 2.556 2.131) 3.371 9.218 ( -0.812 -1.828 -0.256) 2.017 9.426 ( -0.517 3.441 -0.519) 3.518 9.510 ( -1.196 -3.622 -1.861) 4.244 9.851 ( -1.904 2.220 -1.511) 3.292 9.889 ( -2.299 -1.073 -1.128) 2.776 ======================= Grid point 13 (10/74) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 0.000 11.589 -0.000) 11.589 0.599 ( 0.000 2.036 0.000) 2.036 0.734 ( 0.000 0.865 0.000) 0.865 0.836 ( 0.000 -5.656 0.000) 5.656 0.910 ( 0.000 3.018 0.000) 3.018 0.954 ( -0.000 -0.588 0.000) 0.588 0.995 ( 0.000 0.452 -0.000) 0.452 1.044 ( 0.000 -3.401 0.000) 3.401 1.239 ( 0.000 7.945 -0.000) 7.945 1.253 ( 0.000 -0.258 0.000) 0.258 1.256 ( -0.000 1.444 -0.000) 1.444 1.371 ( 0.000 -0.472 -0.000) 0.472 1.386 ( 0.000 1.268 0.000) 1.268 1.425 ( 0.000 -2.282 0.000) 2.282 1.529 ( 0.000 0.900 0.000) 0.900 1.607 ( 0.000 -1.255 -0.000) 1.255 1.630 ( 0.000 7.566 0.000) 7.566 1.641 ( 0.000 3.933 -0.000) 3.933 1.736 ( 0.000 -0.371 0.000) 0.371 1.749 ( 0.000 -1.893 -0.000) 1.893 1.798 ( 0.000 -10.314 -0.000) 10.314 1.803 ( -0.000 -5.006 0.000) 5.006 2.027 ( 0.000 -0.644 -0.000) 0.644 2.028 ( -0.000 -2.079 0.000) 2.079 2.076 ( 0.000 3.685 0.000) 3.685 2.126 ( 0.000 -1.012 0.000) 1.012 2.149 ( 0.000 3.209 0.000) 3.209 2.186 ( 0.000 0.235 0.000) 0.235 2.224 ( 0.000 2.860 0.000) 2.860 2.292 ( 0.000 -0.990 0.000) 0.990 2.362 ( 0.000 -4.347 0.000) 4.347 2.389 ( 0.000 -2.408 0.000) 2.408 2.615 ( 0.000 -0.152 0.000) 0.152 2.641 ( 0.000 -0.893 0.000) 0.893 2.666 ( 0.000 0.423 0.000) 0.423 2.709 ( 0.000 -2.932 -0.000) 2.932 2.759 ( 0.000 5.707 0.000) 5.707 2.851 ( 0.000 -1.162 0.000) 1.162 2.975 ( 0.000 1.156 0.000) 1.156 3.061 ( 0.000 -7.398 0.000) 7.398 3.217 ( -0.000 3.308 0.000) 3.308 3.233 ( 0.000 1.497 0.000) 1.497 3.326 ( 0.000 0.895 0.000) 0.895 3.351 ( 0.000 -0.909 0.000) 0.909 3.538 ( 0.000 2.763 0.000) 2.763 3.568 ( 0.000 -0.247 0.000) 0.247 3.826 ( 0.000 1.530 0.000) 1.530 3.869 ( 0.000 -2.016 0.000) 2.016 5.634 ( 0.000 0.396 0.000) 0.396 5.662 ( 0.000 -2.361 0.000) 2.361 5.865 ( 0.000 4.631 0.000) 4.631 5.924 ( 0.000 -1.154 0.000) 1.154 6.140 ( 0.000 8.683 0.000) 8.683 6.286 ( 0.000 -3.924 0.000) 3.924 6.321 ( 0.000 1.967 -0.000) 1.967 6.421 ( 0.000 -7.138 0.000) 7.138 6.694 ( 0.000 -1.031 -0.000) 1.031 6.736 ( 0.000 -2.939 0.000) 2.939 6.784 ( 0.000 -1.029 0.000) 1.029 6.808 ( 0.000 -1.371 0.000) 1.371 7.015 ( 0.000 8.597 0.000) 8.597 7.185 ( 0.000 -5.967 0.000) 5.967 7.344 ( -0.000 3.644 0.000) 3.644 7.385 ( 0.000 0.053 0.000) 0.053 7.616 ( 0.000 2.744 -0.000) 2.744 7.677 ( 0.000 -2.297 0.000) 2.297 7.998 ( 0.000 1.734 0.000) 1.734 8.061 ( 0.000 -3.388 -0.000) 3.388 8.157 ( 0.000 0.330 0.000) 0.330 8.166 ( 0.000 -0.632 -0.000) 0.632 8.189 ( -0.000 1.928 0.000) 1.928 8.236 ( 0.000 -1.685 0.000) 1.685 8.673 ( 0.000 3.180 0.000) 3.180 8.703 ( 0.000 -0.427 0.000) 0.427 8.726 ( 0.000 -2.206 0.000) 2.206 8.743 ( -0.000 -2.636 -0.000) 2.636 8.844 ( 0.000 4.552 0.000) 4.552 8.937 ( 0.000 -3.811 0.000) 3.811 9.193 ( 0.000 0.993 0.000) 0.993 9.199 ( -0.000 0.127 -0.000) 0.127 9.422 ( 0.000 2.691 0.000) 2.691 9.492 ( 0.000 -3.105 0.000) 3.105 9.823 ( 0.000 2.149 0.000) 2.149 9.861 ( 0.000 -1.047 0.000) 1.047 ======================= Grid point 27 (11/74) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.275 ( 0.257 0.000 13.110) 13.112 0.291 ( -2.565 0.000 13.663) 13.901 0.508 ( 9.333 0.000 9.894) 13.602 0.604 ( -2.783 0.000 27.017) 27.160 0.795 ( 0.419 0.000 2.924) 2.953 0.838 ( -1.021 0.000 -4.882) 4.988 0.892 ( -1.072 0.000 1.690) 2.002 0.956 ( -0.342 0.000 0.112) 0.360 1.002 ( -2.099 0.000 -0.712) 2.216 1.125 ( 1.717 0.000 1.335) 2.175 1.184 ( 1.893 0.000 6.432) 6.705 1.259 ( 0.893 0.000 -0.283) 0.937 1.285 ( 1.570 0.000 4.487) 4.754 1.338 ( 0.010 0.000 -1.110) 1.110 1.462 ( -0.553 0.000 -0.398) 0.682 1.506 ( -0.103 0.000 4.369) 4.370 1.608 ( 2.323 0.000 -2.227) 3.218 1.660 ( 0.446 0.000 0.203) 0.490 1.744 ( 0.389 0.000 0.001) 0.389 1.782 ( -1.972 0.000 -1.445) 2.445 1.856 ( -1.540 0.000 2.706) 3.114 1.934 ( -1.231 0.000 -2.711) 2.977 1.935 ( 0.668 0.000 1.272) 1.437 1.952 ( 1.416 0.000 -3.723) 3.983 2.006 ( -0.482 0.000 -0.671) 0.826 2.082 ( 0.415 0.000 1.465) 1.523 2.096 ( 2.286 0.000 -2.092) 3.099 2.142 ( 0.765 0.000 3.534) 3.616 2.225 ( 2.802 0.000 -0.306) 2.819 2.242 ( -1.412 0.000 0.451) 1.482 2.340 ( 0.262 0.000 0.053) 0.267 2.521 ( 1.605 0.000 -3.463) 3.817 2.598 ( -1.037 0.000 1.654) 1.952 2.625 ( -1.016 0.000 -1.032) 1.448 2.659 ( 0.553 0.000 -4.654) 4.687 2.797 ( 0.629 0.000 -0.016) 0.630 2.822 ( -1.848 0.000 3.923) 4.337 2.851 ( -2.455 0.000 0.436) 2.494 3.066 ( -4.987 0.000 -1.948) 5.354 3.104 ( -1.710 0.000 2.344) 2.901 3.219 ( -0.191 0.000 -2.538) 2.546 3.244 ( -3.635 0.000 -2.086) 4.191 3.369 ( -3.036 0.000 -2.947) 4.231 3.452 ( -0.733 0.000 -0.022) 0.734 3.574 ( -0.649 0.000 2.418) 2.504 3.649 ( 4.348 0.000 3.335) 5.480 3.652 ( -1.468 0.000 6.203) 6.374 3.958 ( 0.474 0.000 0.431) 0.640 5.733 ( -1.500 0.000 -1.839) 2.373 5.774 ( -1.007 0.000 -1.293) 1.639 5.911 ( -1.471 0.000 3.102) 3.433 5.926 ( -17.988 0.000 -0.063) 17.988 6.062 ( 3.309 0.000 2.720) 4.284 6.210 ( 0.732 0.000 0.633) 0.968 6.263 ( 25.308 0.000 0.655) 25.317 6.392 ( 1.831 0.000 -3.256) 3.736 6.503 ( -1.182 0.000 0.861) 1.462 6.592 ( -0.587 0.000 6.277) 6.305 6.772 ( 3.009 0.000 -2.597) 3.975 6.938 ( 2.065 0.000 -1.431) 2.512 7.072 ( -4.976 0.000 -2.647) 5.637 7.115 ( -0.450 0.000 -1.259) 1.337 7.330 ( 1.611 0.000 0.011) 1.611 7.452 ( 1.857 0.000 -0.267) 1.876 7.485 ( -0.898 0.000 4.679) 4.765 7.626 ( -4.941 0.000 2.240) 5.425 7.887 ( 0.114 0.000 -6.753) 6.754 7.970 ( 8.160 0.000 -8.643) 11.887 8.174 ( -1.321 0.000 -2.628) 2.941 8.262 ( -0.301 0.000 4.938) 4.947 8.275 ( 1.050 0.000 -0.208) 1.070 8.400 ( -0.858 0.000 5.907) 5.969 8.538 ( -0.490 0.000 -1.078) 1.184 8.620 ( 0.218 0.000 0.497) 0.543 8.667 ( 1.994 0.000 1.002) 2.232 8.693 ( -0.908 0.000 -2.440) 2.603 8.896 ( 0.205 0.000 -0.959) 0.981 9.106 ( 0.620 0.000 -1.754) 1.861 9.279 ( 2.085 0.000 -1.691) 2.685 9.338 ( -0.205 0.000 -0.698) 0.727 9.346 ( -1.868 0.000 3.032) 3.562 9.711 ( -1.762 0.000 -0.811) 1.939 9.901 ( -0.954 0.000 -2.072) 2.281 10.030 ( 3.770 0.000 -3.943) 5.455 ======================= Grid point 28 (12/74) ======================= q-point: ( 0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( 1.618 0.000 11.112) 11.229 0.463 ( 6.701 0.000 9.030) 11.245 0.724 ( -1.711 0.000 -1.055) 2.010 0.761 ( 0.359 0.000 7.280) 7.289 0.846 ( 1.121 0.000 4.282) 4.426 0.848 ( 7.331 0.000 0.579) 7.354 0.941 ( -0.264 0.000 1.736) 1.756 0.946 ( 2.870 0.000 2.501) 3.807 1.001 ( 1.586 0.000 2.662) 3.098 1.196 ( 3.735 0.000 6.487) 7.485 1.276 ( 2.000 0.000 1.383) 2.431 1.282 ( 2.042 0.000 1.901) 2.789 1.342 ( 1.873 0.000 -0.530) 1.946 1.351 ( 0.220 0.000 3.460) 3.467 1.429 ( -1.632 0.000 -0.673) 1.765 1.579 ( 2.614 0.000 6.331) 6.849 1.631 ( 0.655 0.000 -0.967) 1.168 1.700 ( -4.955 0.000 0.408) 4.972 1.726 ( -1.778 0.000 -1.862) 2.575 1.758 ( 6.950 0.000 4.114) 8.076 1.845 ( -2.268 0.000 -3.729) 4.364 1.849 ( -1.594 0.000 3.393) 3.749 1.950 ( 1.258 0.000 -0.053) 1.259 1.984 ( 3.594 0.000 -0.063) 3.595 2.003 ( -0.658 0.000 1.511) 1.649 2.092 ( 0.549 0.000 -4.099) 4.135 2.122 ( 1.604 0.000 2.870) 3.288 2.173 ( -0.767 0.000 2.761) 2.865 2.227 ( -1.096 0.000 1.908) 2.200 2.272 ( 2.113 0.000 0.227) 2.125 2.350 ( -0.049 0.000 1.103) 1.104 2.517 ( 0.272 0.000 -2.579) 2.593 2.565 ( -3.305 0.000 0.973) 3.445 2.584 ( -1.100 0.000 -2.820) 3.027 2.641 ( 1.033 0.000 -4.115) 4.242 2.766 ( -5.186 0.000 -2.064) 5.582 2.836 ( 0.307 0.000 -0.071) 0.315 2.850 ( 3.148 0.000 -0.382) 3.171 2.972 ( -3.215 0.000 1.267) 3.456 3.108 ( -3.781 0.000 -2.701) 4.647 3.110 ( 0.282 0.000 1.752) 1.774 3.185 ( -1.623 0.000 -4.278) 4.576 3.325 ( 0.289 0.000 -1.170) 1.205 3.448 ( 0.538 0.000 -0.512) 0.743 3.564 ( -2.887 0.000 2.749) 3.987 3.684 ( -1.501 0.000 5.388) 5.593 3.766 ( 3.909 0.000 3.354) 5.150 3.965 ( -0.407 0.000 -0.135) 0.429 5.689 ( -0.618 0.000 -2.446) 2.523 5.753 ( 0.688 0.000 -1.995) 2.110 5.775 ( -4.280 0.000 2.499) 4.956 5.893 ( -1.015 0.000 -0.173) 1.030 6.193 ( -3.329 0.000 1.266) 3.561 6.248 ( 9.336 0.000 6.843) 11.575 6.399 ( 1.160 0.000 -1.629) 2.000 6.483 ( 2.495 0.000 -3.289) 4.129 6.619 ( 8.266 0.000 3.048) 8.810 6.687 ( 5.912 0.000 0.659) 5.948 6.767 ( -0.686 0.000 -2.097) 2.206 6.926 ( -6.408 0.000 -3.538) 7.320 6.951 ( 0.643 0.000 -3.322) 3.383 7.072 ( -3.481 0.000 2.211) 4.124 7.378 ( -0.499 0.000 -0.158) 0.524 7.452 ( -1.863 0.000 0.634) 1.968 7.467 ( 2.720 0.000 -0.588) 2.782 7.612 ( -1.356 0.000 4.641) 4.835 7.807 ( 0.095 0.000 -7.401) 7.401 8.007 ( 5.586 0.000 -11.303) 12.609 8.140 ( 0.233 0.000 -2.020) 2.034 8.274 ( -0.576 0.000 -1.549) 1.653 8.300 ( -2.562 0.000 5.684) 6.234 8.406 ( -1.368 0.000 1.905) 2.345 8.599 ( 5.240 0.000 -0.027) 5.241 8.620 ( -0.518 0.000 0.854) 0.999 8.683 ( 0.969 0.000 -0.630) 1.155 8.722 ( 1.357 0.000 2.318) 2.686 8.900 ( 1.240 0.000 -0.448) 1.318 9.061 ( -3.150 0.000 -2.212) 3.849 9.214 ( -4.707 0.000 1.642) 4.985 9.321 ( -1.329 0.000 -1.685) 2.146 9.363 ( 0.457 0.000 3.155) 3.188 9.649 ( -3.267 0.000 -1.718) 3.692 9.862 ( -0.719 0.000 -3.448) 3.522 9.999 ( -1.633 0.000 -4.601) 4.883 ======================= Grid point 29 (13/74) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 2.119 0.000 7.149) 7.456 0.598 ( -8.813 0.000 -1.407) 8.925 0.623 ( 3.111 0.000 5.512) 6.330 0.823 ( 4.421 0.000 -0.874) 4.507 0.869 ( -1.047 0.000 -1.337) 1.698 0.891 ( 0.486 0.000 1.902) 1.963 0.987 ( 3.430 0.000 -1.927) 3.934 1.001 ( 1.587 0.000 1.536) 2.208 1.102 ( 1.951 0.000 6.298) 6.593 1.297 ( 1.507 0.000 -1.246) 1.956 1.307 ( -1.343 0.000 2.964) 3.254 1.328 ( 0.494 0.000 1.898) 1.961 1.362 ( -0.347 0.000 1.966) 1.997 1.391 ( 2.059 0.000 -0.870) 2.235 1.426 ( 3.301 0.000 2.001) 3.860 1.600 ( -3.477 0.000 4.489) 5.678 1.618 ( -0.134 0.000 -1.048) 1.056 1.656 ( -2.603 0.000 -1.828) 3.181 1.725 ( 2.455 0.000 0.671) 2.545 1.786 ( -0.219 0.000 -2.176) 2.187 1.887 ( 3.238 0.000 4.237) 5.333 1.909 ( 4.364 0.000 0.652) 4.413 1.980 ( -2.093 0.000 0.335) 2.119 1.990 ( 0.052 0.000 2.326) 2.327 2.054 ( -0.169 0.000 -4.520) 4.523 2.090 ( 3.583 0.000 1.811) 4.015 2.164 ( -1.793 0.000 2.262) 2.886 2.177 ( 1.602 0.000 1.630) 2.285 2.228 ( -2.020 0.000 0.826) 2.182 2.311 ( -1.854 0.000 -0.744) 1.998 2.365 ( 4.389 0.000 5.291) 6.875 2.479 ( -0.975 0.000 -1.394) 1.702 2.544 ( 0.381 0.000 -3.971) 3.989 2.559 ( 0.737 0.000 4.598) 4.657 2.619 ( 0.573 0.000 -3.657) 3.702 2.694 ( -0.844 0.000 1.649) 1.853 2.836 ( -1.477 0.000 -2.259) 2.699 2.838 ( 1.290 0.000 -2.091) 2.457 2.952 ( -0.960 0.000 2.169) 2.372 3.057 ( -2.343 0.000 -4.650) 5.207 3.141 ( 1.012 0.000 1.719) 1.995 3.172 ( 4.580 0.000 0.302) 4.590 3.334 ( 1.086 0.000 -0.518) 1.203 3.457 ( 0.809 0.000 -0.457) 0.929 3.511 ( -5.857 0.000 3.515) 6.831 3.676 ( -3.535 0.000 3.290) 4.829 3.833 ( 0.757 0.000 1.133) 1.363 3.938 ( -1.907 0.000 -0.222) 1.920 5.657 ( -0.583 0.000 -2.216) 2.291 5.737 ( -1.688 0.000 0.606) 1.794 5.758 ( 1.255 0.000 -2.237) 2.564 5.884 ( 1.423 0.000 -1.258) 1.899 6.117 ( -5.418 0.000 0.990) 5.507 6.379 ( -3.098 0.000 0.103) 3.100 6.449 ( 3.393 0.000 6.113) 6.991 6.493 ( 1.676 0.000 -2.925) 3.371 6.744 ( 0.109 0.000 -4.420) 4.422 6.760 ( 3.245 0.000 -3.278) 4.613 6.768 ( 2.326 0.000 6.833) 7.218 6.825 ( -0.207 0.000 0.988) 1.009 6.886 ( -2.426 0.000 -4.049) 4.720 7.057 ( -0.871 0.000 4.812) 4.890 7.342 ( 0.556 0.000 -4.027) 4.065 7.410 ( -2.398 0.000 0.609) 2.474 7.580 ( 6.891 0.000 -1.189) 6.993 7.624 ( -2.099 0.000 6.076) 6.429 7.779 ( 4.525 0.000 -8.531) 9.657 8.004 ( 3.874 0.000 -8.121) 8.997 8.139 ( 0.457 0.000 -0.680) 0.819 8.238 ( -0.737 0.000 -2.226) 2.345 8.267 ( -4.094 0.000 2.457) 4.775 8.386 ( -3.518 0.000 3.319) 4.837 8.619 ( -0.089 0.000 0.271) 0.285 8.681 ( 3.166 0.000 -0.546) 3.213 8.710 ( 2.134 0.000 -0.029) 2.134 8.749 ( -0.666 0.000 3.298) 3.364 8.919 ( -1.084 0.000 -1.153) 1.582 8.977 ( -1.871 0.000 -1.196) 2.220 9.175 ( -1.483 0.000 2.471) 2.882 9.263 ( -2.559 0.000 -2.553) 3.615 9.404 ( 0.301 0.000 3.333) 3.347 9.575 ( -2.739 0.000 -1.261) 3.015 9.813 ( -0.856 0.000 -3.589) 3.689 9.920 ( -2.209 0.000 -3.633) 4.252 ======================= Grid point 30 (14/74) ======================= q-point: ( 0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( -11.170 0.000 1.551) 11.277 0.599 ( -0.438 0.000 3.684) 3.710 0.709 ( 2.823 0.000 2.061) 3.496 0.855 ( 0.874 0.000 0.012) 0.874 0.900 ( 3.192 0.000 0.021) 3.192 0.906 ( 1.407 0.000 -1.175) 1.833 1.020 ( 2.381 0.000 -3.334) 4.097 1.040 ( 0.996 0.000 1.217) 1.573 1.173 ( 0.506 0.000 4.835) 4.862 1.246 ( -3.195 0.000 -0.092) 3.196 1.281 ( -2.118 0.000 -2.909) 3.599 1.342 ( 1.312 0.000 -0.456) 1.389 1.369 ( -0.751 0.000 1.148) 1.372 1.421 ( 2.245 0.000 0.323) 2.268 1.536 ( 2.976 0.000 1.746) 3.450 1.556 ( -4.650 0.000 -3.639) 5.905 1.612 ( 0.038 0.000 -0.725) 0.726 1.643 ( 1.291 0.000 7.617) 7.726 1.733 ( -0.821 0.000 -0.511) 0.968 1.771 ( -0.154 0.000 -2.331) 2.336 1.907 ( -4.233 0.000 0.504) 4.263 1.948 ( -0.171 0.000 -0.958) 0.973 2.000 ( -0.063 0.000 -3.027) 3.027 2.001 ( 2.771 0.000 1.370) 3.091 2.018 ( 0.775 0.000 2.358) 2.482 2.125 ( -0.527 0.000 0.676) 0.857 2.152 ( -0.309 0.000 -4.363) 4.374 2.172 ( 0.361 0.000 1.910) 1.943 2.208 ( 0.011 0.000 2.015) 2.015 2.286 ( 0.338 0.000 -0.954) 1.012 2.435 ( -2.377 0.000 -0.890) 2.538 2.515 ( 2.381 0.000 5.420) 5.920 2.527 ( 2.308 0.000 -7.153) 7.516 2.586 ( -1.456 0.000 -0.579) 1.567 2.623 ( 2.988 0.000 -3.105) 4.309 2.708 ( -1.068 0.000 1.495) 1.837 2.835 ( 0.324 0.000 -1.895) 1.922 2.860 ( -1.548 0.000 4.745) 4.991 2.971 ( -0.388 0.000 0.457) 0.599 3.014 ( 7.073 0.000 3.261) 7.789 3.172 ( 0.652 0.000 1.790) 1.905 3.278 ( 4.164 0.000 1.382) 4.387 3.350 ( 0.787 0.000 -0.113) 0.795 3.412 ( -8.480 0.000 5.026) 9.858 3.472 ( 1.066 0.000 -0.396) 1.137 3.624 ( -4.009 0.000 2.065) 4.509 3.821 ( -1.347 0.000 -0.291) 1.378 3.910 ( -1.254 0.000 0.594) 1.387 5.635 ( -0.244 0.000 -0.360) 0.435 5.718 ( -0.428 0.000 -0.450) 0.621 5.749 ( 0.713 0.000 -2.620) 2.716 5.937 ( 3.759 0.000 0.914) 3.868 6.030 ( -3.870 0.000 0.415) 3.892 6.296 ( -4.307 0.000 -1.178) 4.466 6.446 ( -5.891 0.000 1.548) 6.091 6.498 ( 1.342 0.000 -1.688) 2.156 6.677 ( -0.626 0.000 -4.730) 4.771 6.790 ( 1.741 0.000 -4.197) 4.543 6.839 ( -0.193 0.000 4.993) 4.996 6.849 ( 1.985 0.000 -1.309) 2.378 6.856 ( -0.869 0.000 2.997) 3.121 7.159 ( 6.764 0.000 4.009) 7.863 7.302 ( -1.555 0.000 -4.024) 4.314 7.391 ( -0.658 0.000 0.968) 1.170 7.618 ( -0.380 0.000 1.141) 1.202 7.690 ( 1.804 0.000 2.745) 3.285 7.811 ( 7.219 0.000 -9.571) 11.988 8.014 ( 3.782 0.000 -5.362) 6.561 8.127 ( -0.524 0.000 -0.567) 0.772 8.215 ( -3.082 0.000 2.109) 3.735 8.234 ( 1.569 0.000 -0.693) 1.715 8.340 ( -5.132 0.000 4.869) 7.075 8.625 ( 0.600 0.000 -0.157) 0.620 8.717 ( 2.029 0.000 -0.898) 2.219 8.745 ( 1.151 0.000 -0.273) 1.183 8.777 ( -0.138 0.000 3.475) 3.478 8.814 ( -4.972 0.000 -2.485) 5.559 8.983 ( 0.554 0.000 -0.246) 0.607 9.173 ( -1.488 0.000 -1.569) 2.162 9.204 ( -0.550 0.000 0.089) 0.558 9.421 ( -1.334 0.000 2.338) 2.692 9.542 ( -0.462 0.000 1.246) 1.329 9.779 ( 0.313 0.000 -2.095) 2.118 9.865 ( -0.661 0.000 -2.285) 2.378 ======================= Grid point 31 (15/74) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( 3.435 0.000 8.140) 8.836 0.592 ( -2.748 0.000 2.278) 3.570 0.737 ( -1.629 0.000 -0.305) 1.657 0.887 ( 1.361 0.000 1.269) 1.861 0.894 ( -1.063 0.000 -1.611) 1.930 0.972 ( 3.604 0.000 0.902) 3.715 1.024 ( 1.514 0.000 -3.061) 3.415 1.034 ( -2.836 0.000 1.721) 3.318 1.168 ( -3.906 0.000 0.187) 3.911 1.235 ( 0.398 0.000 -2.419) 2.452 1.249 ( 2.959 0.000 0.648) 3.029 1.337 ( -3.337 0.000 -0.356) 3.356 1.359 ( 1.758 0.000 -2.824) 3.327 1.436 ( -1.697 0.000 -1.964) 2.596 1.485 ( -0.082 0.000 2.625) 2.627 1.496 ( -3.873 0.000 -3.432) 5.175 1.620 ( 0.404 0.000 -0.144) 0.429 1.689 ( -3.597 0.000 2.609) 4.444 1.736 ( 1.655 0.000 -4.457) 4.754 1.751 ( 3.256 0.000 2.553) 4.138 1.848 ( -2.536 0.000 0.293) 2.553 1.981 ( 0.973 0.000 -4.881) 4.977 1.983 ( 1.782 0.000 2.281) 2.895 2.009 ( -1.459 0.000 0.029) 1.459 2.053 ( 0.308 0.000 1.825) 1.851 2.092 ( -1.848 0.000 -0.839) 2.029 2.148 ( -3.837 0.000 -0.320) 3.850 2.161 ( 1.894 0.000 -1.692) 2.539 2.228 ( -0.549 0.000 1.868) 1.947 2.288 ( 0.451 0.000 -0.748) 0.874 2.350 ( -3.627 0.000 -5.007) 6.183 2.506 ( 3.477 0.000 -8.012) 8.734 2.525 ( -2.414 0.000 -4.560) 5.159 2.572 ( -0.631 0.000 3.454) 3.511 2.639 ( 0.822 0.000 0.877) 1.202 2.704 ( 0.992 0.000 -1.271) 1.612 2.775 ( 0.744 0.000 -2.696) 2.797 2.845 ( -4.118 0.000 5.372) 6.768 3.070 ( 3.561 0.000 5.685) 6.708 3.170 ( -0.127 0.000 1.910) 1.914 3.236 ( 5.928 0.000 5.029) 7.774 3.312 ( -6.619 0.000 7.851) 10.268 3.328 ( -0.434 0.000 1.882) 1.932 3.358 ( 0.048 0.000 0.121) 0.130 3.473 ( -0.478 0.000 -1.201) 1.293 3.587 ( -1.437 0.000 1.962) 2.432 3.822 ( 1.078 0.000 1.135) 1.565 3.895 ( -0.514 0.000 0.256) 0.574 5.646 ( 0.814 0.000 1.241) 1.484 5.709 ( 0.148 0.000 -1.060) 1.071 5.759 ( 2.409 0.000 -1.287) 2.731 6.000 ( 0.455 0.000 0.802) 0.922 6.004 ( 0.708 0.000 2.959) 3.043 6.220 ( -0.269 0.000 -6.007) 6.013 6.334 ( -4.512 0.000 -1.321) 4.702 6.521 ( 2.817 0.000 -1.606) 3.243 6.638 ( -0.643 0.000 -2.462) 2.544 6.793 ( 2.474 0.000 -1.396) 2.841 6.819 ( -1.614 0.000 -2.449) 2.933 6.872 ( 0.927 0.000 -2.106) 2.301 6.890 ( -1.352 0.000 8.193) 8.304 7.204 ( -4.619 0.000 -3.047) 5.533 7.323 ( 5.617 0.000 2.599) 6.189 7.377 ( -1.339 0.000 -0.777) 1.548 7.590 ( -4.567 0.000 0.722) 4.623 7.724 ( 0.911 0.000 2.175) 2.358 7.862 ( 6.387 0.000 -8.122) 10.332 8.050 ( 4.559 0.000 -4.891) 6.687 8.139 ( 1.477 0.000 0.721) 1.644 8.202 ( -0.934 0.000 3.648) 3.765 8.257 ( 0.767 0.000 0.266) 0.811 8.292 ( -4.357 0.000 5.103) 6.711 8.611 ( -2.066 0.000 -3.085) 3.713 8.708 ( -1.102 0.000 -0.255) 1.131 8.732 ( -0.299 0.000 -1.073) 1.114 8.763 ( 1.583 0.000 0.402) 1.633 8.848 ( 2.387 0.000 3.446) 4.192 8.972 ( -0.799 0.000 -1.473) 1.675 9.107 ( -1.714 0.000 -4.100) 4.444 9.222 ( 1.130 0.000 0.577) 1.269 9.409 ( -1.400 0.000 1.554) 2.092 9.570 ( 0.616 0.000 3.536) 3.589 9.794 ( 2.138 0.000 0.049) 2.138 9.859 ( 1.678 0.000 -1.063) 1.986 ======================= Grid point 32 (16/74) ======================= q-point: (-0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( -3.259 0.000 3.649) 4.892 0.580 ( 6.683 0.000 7.768) 10.247 0.634 ( -7.775 0.000 -2.100) 8.054 0.851 ( -1.660 0.000 -1.256) 2.082 0.930 ( 1.208 0.000 2.280) 2.580 0.989 ( -3.750 0.000 2.204) 4.350 1.008 ( -1.632 0.000 1.334) 2.108 1.015 ( -0.642 0.000 -1.234) 1.391 1.097 ( -2.872 0.000 -0.876) 3.003 1.202 ( -0.066 0.000 -3.620) 3.621 1.275 ( 0.678 0.000 -1.057) 1.255 1.336 ( 2.698 0.000 1.469) 3.072 1.362 ( -0.990 0.000 -1.132) 1.504 1.395 ( 1.084 0.000 -3.095) 3.279 1.406 ( -4.539 0.000 -0.573) 4.575 1.504 ( -1.957 0.000 2.092) 2.865 1.621 ( 0.186 0.000 0.054) 0.194 1.650 ( -0.848 0.000 -1.320) 1.569 1.753 ( 3.399 0.000 -3.493) 4.874 1.761 ( -3.433 0.000 -3.968) 5.247 1.813 ( -1.112 0.000 2.121) 2.395 1.890 ( -7.167 0.000 -8.763) 11.321 1.950 ( -2.627 0.000 0.638) 2.704 1.952 ( 0.131 0.000 -7.713) 7.714 2.055 ( -3.494 0.000 2.325) 4.197 2.085 ( 0.571 0.000 1.799) 1.887 2.102 ( -0.004 0.000 -0.575) 0.575 2.132 ( -0.578 0.000 -4.212) 4.251 2.196 ( -2.346 0.000 -0.911) 2.517 2.289 ( 0.937 0.000 1.007) 1.375 2.310 ( 1.130 0.000 -0.724) 1.342 2.467 ( 0.599 0.000 -0.559) 0.820 2.508 ( 3.451 0.000 -6.578) 7.429 2.597 ( 1.045 0.000 2.643) 2.842 2.660 ( 0.290 0.000 -1.999) 2.020 2.737 ( 1.269 0.000 6.259) 6.386 2.824 ( -2.455 0.000 4.714) 5.315 2.845 ( 4.945 0.000 2.580) 5.578 3.129 ( -4.329 0.000 1.147) 4.478 3.143 ( -0.211 0.000 1.611) 1.625 3.239 ( -4.809 0.000 5.944) 7.646 3.304 ( -3.114 0.000 3.060) 4.366 3.354 ( -0.663 0.000 0.477) 0.817 3.430 ( 4.806 0.000 6.127) 7.787 3.454 ( 0.103 0.000 -1.165) 1.170 3.597 ( 0.073 0.000 1.530) 1.532 3.823 ( -1.916 0.000 -1.127) 2.223 3.925 ( 2.445 0.000 1.700) 2.978 5.668 ( 0.276 0.000 -0.091) 0.290 5.717 ( 1.910 0.000 -0.199) 1.920 5.804 ( 2.168 0.000 0.083) 2.170 6.004 ( -3.409 0.000 3.269) 4.723 6.057 ( 3.523 0.000 2.079) 4.091 6.168 ( 2.803 0.000 -10.125) 10.506 6.296 ( 1.931 0.000 -2.059) 2.823 6.564 ( 3.514 0.000 -3.758) 5.145 6.595 ( -1.977 0.000 -1.778) 2.659 6.782 ( -0.108 0.000 0.752) 0.760 6.817 ( -1.448 0.000 -3.083) 3.406 6.879 ( 3.029 0.000 1.243) 3.274 6.944 ( -0.790 0.000 7.571) 7.612 7.087 ( -4.871 0.000 -1.003) 4.973 7.337 ( -0.106 0.000 -3.746) 3.747 7.399 ( 1.198 0.000 -0.041) 1.199 7.482 ( -5.821 0.000 -0.285) 5.828 7.768 ( -0.181 0.000 3.992) 3.996 7.903 ( 4.009 0.000 -4.081) 5.721 8.063 ( 1.400 0.000 -5.438) 5.616 8.166 ( 0.022 0.000 1.110) 1.110 8.234 ( 0.034 0.000 2.674) 2.674 8.273 ( 0.771 0.000 0.596) 0.974 8.296 ( 1.121 0.000 3.947) 4.103 8.544 ( -0.106 0.000 -3.560) 3.562 8.704 ( -1.138 0.000 -1.510) 1.891 8.721 ( 0.345 0.000 0.684) 0.766 8.791 ( -0.405 0.000 2.289) 2.324 8.914 ( 1.146 0.000 -0.144) 1.155 8.947 ( 1.114 0.000 -0.262) 1.145 9.049 ( -0.078 0.000 -4.179) 4.179 9.252 ( 2.063 0.000 -0.507) 2.124 9.402 ( -1.179 0.000 2.013) 2.333 9.621 ( 1.164 0.000 3.942) 4.110 9.845 ( 2.602 0.000 0.607) 2.672 9.904 ( 3.468 0.000 -0.445) 3.497 ======================= Grid point 33 (17/74) ======================= q-point: (-0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( -11.391 0.000 -1.728) 11.522 0.432 ( -9.246 0.000 6.019) 11.033 0.747 ( 1.237 0.000 3.327) 3.550 0.814 ( -1.851 0.000 -0.144) 1.857 0.895 ( -5.488 0.000 -3.398) 6.455 0.917 ( -10.026 0.000 5.150) 11.272 0.960 ( -3.362 0.000 0.475) 3.395 1.007 ( -1.235 0.000 4.426) 4.595 1.047 ( -1.222 0.000 -0.550) 1.340 1.204 ( 2.824 0.000 -1.763) 3.329 1.225 ( -9.988 0.000 -0.351) 9.994 1.243 ( -6.835 0.000 -7.729) 10.318 1.301 ( -0.536 0.000 -0.084) 0.543 1.399 ( 1.637 0.000 0.849) 1.844 1.401 ( -3.446 0.000 -0.140) 3.448 1.452 ( 2.106 0.000 -0.425) 2.148 1.629 ( 1.005 0.000 -3.458) 3.601 1.652 ( 2.632 0.000 -0.788) 2.747 1.683 ( -2.908 0.000 -3.894) 4.860 1.728 ( 1.098 0.000 3.597) 3.761 1.816 ( 5.246 0.000 -1.728) 5.524 1.817 ( -0.300 0.000 2.249) 2.269 1.925 ( 2.781 0.000 -4.570) 5.349 1.940 ( -0.294 0.000 0.151) 0.331 1.988 ( -2.691 0.000 -1.149) 2.926 2.077 ( 0.587 0.000 -3.896) 3.940 2.085 ( -0.903 0.000 -0.756) 1.178 2.137 ( 1.720 0.000 0.167) 1.728 2.158 ( -1.861 0.000 0.098) 1.864 2.305 ( -0.377 0.000 0.067) 0.383 2.328 ( 1.101 0.000 -0.508) 1.213 2.514 ( 2.757 0.000 -4.787) 5.524 2.527 ( 3.253 0.000 2.699) 4.227 2.632 ( -1.092 0.000 -0.034) 1.093 2.647 ( 2.780 0.000 -1.125) 2.999 2.795 ( -1.301 0.000 5.045) 5.210 2.875 ( 1.115 0.000 6.324) 6.421 2.927 ( -1.307 0.000 1.491) 1.983 3.066 ( -2.519 0.000 1.750) 3.067 3.115 ( 0.207 0.000 0.691) 0.722 3.204 ( -4.348 0.000 5.094) 6.698 3.325 ( 1.788 0.000 2.915) 3.420 3.344 ( -1.403 0.000 2.095) 2.521 3.449 ( 0.023 0.000 -0.803) 0.803 3.531 ( 1.229 0.000 3.311) 3.532 3.605 ( -0.647 0.000 2.109) 2.206 3.743 ( -4.240 0.000 -3.043) 5.219 3.970 ( 0.541 0.000 0.729) 0.908 5.667 ( 0.816 0.000 -0.707) 1.080 5.763 ( 2.131 0.000 0.573) 2.207 5.812 ( -0.454 0.000 -1.377) 1.450 5.957 ( -3.909 0.000 1.981) 4.382 6.134 ( 2.298 0.000 1.529) 2.760 6.150 ( 1.308 0.000 -4.598) 4.780 6.338 ( 4.128 0.000 -2.850) 5.017 6.535 ( -1.583 0.000 -3.830) 4.144 6.572 ( 0.098 0.000 -0.481) 0.491 6.743 ( -0.541 0.000 -5.589) 5.615 6.854 ( 4.578 0.000 2.233) 5.093 6.902 ( -1.459 0.000 -0.187) 1.471 6.976 ( -1.162 0.000 3.579) 3.763 7.071 ( 2.091 0.000 2.425) 3.202 7.328 ( 3.615 0.000 -4.804) 6.012 7.377 ( -1.311 0.000 -2.257) 2.610 7.411 ( -2.014 0.000 1.243) 2.366 7.768 ( -4.151 0.000 5.070) 6.553 7.938 ( 2.018 0.000 -0.892) 2.206 8.016 ( -0.559 0.000 -6.230) 6.255 8.170 ( 0.194 0.000 0.644) 0.672 8.246 ( -0.986 0.000 2.705) 2.879 8.291 ( 0.357 0.000 0.063) 0.362 8.366 ( 3.928 0.000 -1.669) 4.267 8.550 ( 2.599 0.000 -1.572) 3.037 8.663 ( -1.751 0.000 -1.621) 2.386 8.704 ( -1.555 0.000 -1.649) 2.266 8.788 ( -1.903 0.000 3.118) 3.653 8.902 ( 0.182 0.000 -1.241) 1.254 9.010 ( 3.575 0.000 0.617) 3.628 9.036 ( 1.625 0.000 -2.357) 2.863 9.289 ( 2.449 0.000 -0.769) 2.567 9.394 ( -2.000 0.000 2.479) 3.185 9.680 ( 1.516 0.000 3.085) 3.437 9.894 ( 1.975 0.000 0.441) 2.024 9.961 ( 3.230 0.000 -1.784) 3.690 ======================= Grid point 34 (18/74) ======================= q-point: (-0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.234 ( -8.715 0.000 7.390) 11.427 0.309 ( -10.324 0.000 9.933) 14.327 0.539 ( -14.392 0.000 -3.175) 14.739 0.648 ( -22.195 0.000 14.946) 26.758 0.786 ( -1.643 0.000 1.528) 2.244 0.867 ( 1.573 0.000 -1.462) 2.147 0.914 ( -2.442 0.000 1.765) 3.013 0.983 ( -2.418 0.000 -0.679) 2.511 1.065 ( -2.254 0.000 -0.996) 2.464 1.099 ( 0.095 0.000 3.213) 3.215 1.126 ( -1.557 0.000 -1.384) 2.083 1.244 ( 1.735 0.000 -0.761) 1.894 1.267 ( -2.496 0.000 1.516) 2.920 1.355 ( -1.153 0.000 -0.580) 1.291 1.440 ( 1.641 0.000 1.061) 1.954 1.485 ( -0.538 0.000 2.981) 3.029 1.600 ( 1.258 0.000 -3.646) 3.857 1.669 ( 0.282 0.000 -0.392) 0.483 1.707 ( 2.982 0.000 -0.029) 2.982 1.798 ( 1.012 0.000 2.330) 2.540 1.848 ( -0.282 0.000 3.530) 3.541 1.905 ( 4.765 0.000 -2.081) 5.199 1.911 ( 0.038 0.000 -0.707) 0.708 1.963 ( 2.653 0.000 -1.277) 2.945 1.997 ( 2.919 0.000 -0.692) 3.000 2.065 ( 2.250 0.000 -3.473) 4.139 2.066 ( -0.270 0.000 0.110) 0.292 2.124 ( -1.889 0.000 1.313) 2.301 2.173 ( 2.384 0.000 -0.317) 2.405 2.278 ( -1.810 0.000 -0.648) 1.922 2.339 ( 0.546 0.000 -0.641) 0.843 2.521 ( 2.320 0.000 -4.379) 4.955 2.590 ( 0.565 0.000 2.075) 2.150 2.630 ( 0.460 0.000 0.259) 0.528 2.677 ( 1.842 0.000 -2.258) 2.914 2.817 ( -1.045 0.000 4.505) 4.625 2.841 ( -4.726 0.000 -0.699) 4.777 2.887 ( -2.940 0.000 2.633) 3.946 3.084 ( 0.299 0.000 2.722) 2.738 3.165 ( -4.016 0.000 2.626) 4.799 3.183 ( 3.766 0.000 0.351) 3.783 3.315 ( -2.029 0.000 -0.457) 2.080 3.419 ( 2.363 0.000 4.705) 5.265 3.433 ( -0.604 0.000 -1.192) 1.336 3.553 ( -0.104 0.000 2.092) 2.094 3.623 ( -0.930 0.000 4.964) 5.051 3.631 ( -3.538 0.000 -2.702) 4.452 3.962 ( -0.959 0.000 -0.187) 0.977 5.717 ( 4.099 0.000 2.215) 4.659 5.794 ( -0.080 0.000 -0.928) 0.932 5.809 ( 3.289 0.000 3.660) 4.920 5.906 ( -2.454 0.000 1.836) 3.065 6.092 ( -4.903 0.000 0.437) 4.922 6.176 ( 1.822 0.000 0.185) 1.832 6.380 ( 3.112 0.000 -3.568) 4.734 6.461 ( -2.277 0.000 -8.971) 9.256 6.568 ( -2.423 0.000 3.658) 4.388 6.730 ( 4.212 0.000 -5.314) 6.781 6.736 ( -15.236 0.000 -13.945) 20.654 6.901 ( 2.183 0.000 -0.698) 2.292 7.076 ( 6.477 0.000 1.162) 6.581 7.116 ( 0.740 0.000 0.170) 0.759 7.341 ( -0.593 0.000 -2.416) 2.487 7.383 ( 5.326 0.000 -2.023) 5.697 7.426 ( 0.797 0.000 4.793) 4.859 7.712 ( -6.134 0.000 4.141) 7.401 7.917 ( -2.658 0.000 -5.372) 5.993 7.961 ( 0.619 0.000 -2.006) 2.099 8.192 ( 1.079 0.000 0.298) 1.119 8.249 ( -1.625 0.000 3.593) 3.944 8.277 ( -0.870 0.000 -1.329) 1.589 8.389 ( 1.862 0.000 -5.128) 5.456 8.591 ( 2.366 0.000 -0.314) 2.387 8.608 ( -3.359 0.000 -0.751) 3.442 8.660 ( -0.967 0.000 -1.230) 1.564 8.767 ( -1.910 0.000 -3.711) 4.173 8.900 ( 0.379 0.000 -0.891) 0.968 9.076 ( 3.202 0.000 -0.545) 3.248 9.100 ( 6.782 0.000 5.578) 8.781 9.328 ( 1.848 0.000 0.104) 1.851 9.370 ( -2.947 0.000 2.747) 4.028 9.721 ( 0.506 0.000 1.194) 1.297 9.924 ( 0.409 0.000 0.704) 0.814 9.981 ( 1.998 0.000 -3.461) 3.996 ======================= Grid point 35 (19/74) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( 3.714 6.085 10.221) 12.461 0.424 ( -0.294 9.721 9.380) 13.512 0.467 ( 7.136 -4.097 10.006) 12.955 0.664 ( 0.034 -10.545 3.317) 11.054 0.842 ( -3.797 10.033 6.860) 12.734 0.857 ( 0.454 4.919 1.786) 5.252 0.912 ( -1.091 1.345 -2.967) 3.435 0.952 ( -0.219 -3.549 0.105) 3.557 1.068 ( -0.062 5.704 1.876) 6.005 1.155 ( -0.224 -0.398 2.445) 2.487 1.224 ( 0.702 3.678 3.982) 5.466 1.269 ( 1.193 0.722 -0.533) 1.493 1.333 ( 1.473 0.184 1.955) 2.455 1.364 ( -0.146 6.202 2.564) 6.713 1.411 ( 0.250 -3.612 2.499) 4.399 1.495 ( 0.599 -2.225 3.044) 3.818 1.594 ( 2.734 -0.380 -1.037) 2.949 1.627 ( 1.301 -2.430 0.694) 2.843 1.745 ( -0.917 0.812 0.407) 1.290 1.787 ( -1.638 -1.030 0.553) 2.012 1.835 ( -0.474 -0.651 1.824) 1.994 1.865 ( 0.999 -4.126 2.683) 5.022 1.947 ( -0.381 0.569 -1.526) 1.672 1.954 ( -1.228 0.238 -2.216) 2.544 2.042 ( 1.333 1.764 -2.502) 3.339 2.068 ( 0.724 -0.585 -3.164) 3.298 2.104 ( 1.335 0.260 0.150) 1.368 2.128 ( 0.740 -1.473 0.499) 1.722 2.246 ( 1.686 1.850 1.476) 2.905 2.264 ( -0.996 1.372 2.075) 2.680 2.332 ( 0.420 -0.048 -0.925) 1.017 2.414 ( 0.517 -6.230 0.953) 6.324 2.558 ( 1.959 -0.162 -3.720) 4.207 2.596 ( 1.703 -4.120 -3.963) 5.965 2.711 ( -1.391 2.483 0.646) 2.918 2.745 ( 0.513 -1.799 0.316) 1.897 2.825 ( -1.275 0.117 3.155) 3.405 2.844 ( -2.320 -1.199 4.264) 5.000 3.037 ( -4.018 -0.514 -3.537) 5.378 3.053 ( -5.571 -1.162 -2.889) 6.383 3.258 ( -3.390 1.871 -1.951) 4.336 3.305 ( 0.650 -0.399 0.169) 0.781 3.352 ( -2.538 1.842 -1.855) 3.643 3.414 ( 0.175 -2.674 0.690) 2.767 3.621 ( -0.324 2.317 3.378) 4.109 3.646 ( -0.564 -0.214 4.971) 5.007 3.753 ( 2.731 7.650 1.632) 8.285 3.906 ( 1.310 -5.189 0.348) 5.363 5.723 ( -1.750 -0.012 0.356) 1.786 5.744 ( -2.751 -1.871 1.682) 3.728 5.909 ( -0.055 3.531 0.301) 3.544 5.960 ( 2.291 -0.437 1.103) 2.580 6.142 ( -5.454 2.506 -0.458) 6.019 6.188 ( 7.873 -3.241 0.924) 8.564 6.281 ( 0.782 4.149 1.336) 4.428 6.346 ( -0.224 -2.965 -1.517) 3.338 6.489 ( 2.363 0.354 -0.387) 2.421 6.543 ( 0.333 -3.606 3.721) 5.192 6.834 ( 2.176 4.264 -1.970) 5.176 6.913 ( 1.859 -2.437 -1.484) 3.406 7.060 ( -1.517 1.799 -0.868) 2.508 7.123 ( -1.009 -2.450 -2.586) 3.702 7.367 ( 2.763 2.805 0.890) 4.037 7.423 ( 2.578 -1.913 1.636) 3.603 7.531 ( -2.124 2.558 2.358) 4.076 7.591 ( -3.065 -3.038 2.946) 5.225 7.886 ( 0.022 1.762 -6.121) 6.370 7.938 ( 3.296 -2.241 -7.107) 8.148 8.182 ( -2.154 1.351 -1.733) 3.077 8.213 ( -0.259 -1.096 0.546) 1.252 8.269 ( 0.232 -0.180 3.946) 3.957 8.332 ( -2.625 -4.695 6.221) 8.224 8.563 ( 1.525 2.188 -1.405) 3.015 8.603 ( 1.233 -1.415 -1.101) 2.176 8.747 ( 0.753 6.404 -0.134) 6.449 8.819 ( 3.202 5.636 -3.656) 7.442 8.870 ( -0.075 -2.786 -1.305) 3.077 8.975 ( 1.838 -7.377 -0.427) 7.615 9.255 ( -1.721 2.420 1.674) 3.410 9.309 ( -1.680 -2.048 -0.427) 2.683 9.612 ( -2.146 7.811 -7.055) 10.742 9.699 ( -2.042 -1.658 -2.460) 3.602 9.927 ( 0.840 2.622 -2.174) 3.508 9.992 ( 2.600 -2.824 -2.639) 4.658 ======================= Grid point 36 (20/74) ======================= q-point: ( 0.12 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 4.200 7.684 5.442) 10.310 0.572 ( 3.808 6.241 7.546) 10.507 0.674 ( 3.971 -6.193 2.585) 7.798 0.717 ( 0.220 -5.226 2.963) 6.011 0.817 ( -0.766 3.144 -0.402) 3.260 0.879 ( -1.128 0.101 1.552) 1.922 0.929 ( 3.898 -0.067 2.371) 4.563 0.949 ( 0.182 -0.958 0.499) 1.095 1.110 ( 2.289 6.799 2.928) 7.748 1.214 ( 3.438 -1.273 4.310) 5.659 1.266 ( 1.437 -0.717 1.131) 1.964 1.292 ( 1.635 -1.980 -0.176) 2.574 1.384 ( -0.041 2.196 1.343) 2.575 1.412 ( 2.358 11.196 6.259) 13.042 1.415 ( -1.172 -1.078 -0.180) 1.602 1.576 ( 2.638 -1.438 6.748) 7.386 1.632 ( -0.429 0.014 0.280) 0.512 1.657 ( -1.400 -2.365 1.916) 3.350 1.721 ( -0.888 1.505 -0.168) 1.756 1.782 ( 2.410 -1.588 1.100) 3.088 1.836 ( -0.703 0.003 -0.527) 0.879 1.871 ( -1.202 -0.178 0.591) 1.351 1.937 ( 1.018 -0.773 2.599) 2.897 1.958 ( 2.932 -0.428 1.814) 3.474 2.048 ( 1.672 1.744 -2.747) 3.658 2.071 ( 2.042 -1.031 -1.282) 2.622 2.113 ( 0.089 -0.404 -0.049) 0.416 2.143 ( -0.075 -2.660 0.784) 2.774 2.251 ( -0.424 1.479 2.177) 2.666 2.292 ( -0.651 0.460 3.312) 3.406 2.332 ( 0.381 1.061 -0.957) 1.479 2.425 ( -0.582 -4.878 0.818) 4.980 2.552 ( 1.026 0.223 -3.513) 3.666 2.587 ( 0.490 -3.174 -2.939) 4.353 2.694 ( -1.233 4.026 -0.999) 4.328 2.733 ( -2.885 -0.601 -0.557) 2.999 2.826 ( -1.363 -0.510 -1.569) 2.140 2.849 ( -1.458 -0.874 1.247) 2.108 2.941 ( -2.219 -1.981 0.215) 2.983 2.952 ( 1.304 -4.662 -1.170) 4.981 3.167 ( -3.028 3.068 -2.744) 5.110 3.239 ( -3.330 -2.663 -2.619) 5.004 3.355 ( 1.016 4.140 -0.043) 4.263 3.418 ( -0.044 -1.836 -0.402) 1.881 3.634 ( -1.586 3.650 3.223) 5.121 3.680 ( -1.170 -0.757 4.496) 4.707 3.823 ( 2.361 4.906 1.738) 5.715 3.929 ( 0.322 -3.640 0.016) 3.654 5.675 ( -1.781 -0.098 -1.341) 2.231 5.695 ( -2.466 -1.828 -0.133) 3.073 5.901 ( 0.135 5.759 -0.843) 5.821 5.944 ( -1.718 2.127 -0.599) 2.799 6.183 ( 1.650 2.477 0.451) 3.011 6.297 ( 2.075 -2.126 1.530) 3.342 6.356 ( 3.535 -2.603 0.589) 4.429 6.385 ( 5.829 -3.434 0.274) 6.771 6.574 ( 6.398 -1.551 1.244) 6.700 6.618 ( 2.964 -3.782 5.635) 7.406 6.820 ( -1.734 4.036 -1.906) 4.788 6.911 ( -0.969 -3.274 -3.087) 4.603 7.001 ( -2.156 4.421 -2.076) 5.339 7.068 ( -1.910 -1.128 1.450) 2.650 7.393 ( -2.554 1.493 -0.727) 3.046 7.430 ( -3.500 -1.399 -1.104) 3.928 7.507 ( 1.454 2.937 2.763) 4.287 7.592 ( 0.019 -3.590 3.125) 4.760 7.847 ( 2.681 4.521 -7.190) 8.906 7.957 ( 5.638 -4.494 -9.254) 11.731 8.131 ( -1.372 0.824 -0.705) 1.749 8.193 ( -1.650 -4.345 -0.437) 4.668 8.317 ( -0.533 0.805 4.891) 4.985 8.352 ( -1.112 -2.466 4.688) 5.412 8.600 ( 2.215 0.623 -0.239) 2.313 8.617 ( 1.558 -0.703 -0.820) 1.896 8.761 ( 0.934 5.684 -0.471) 5.779 8.831 ( -0.824 4.521 -0.697) 4.648 8.881 ( 3.009 -0.701 -1.626) 3.491 8.988 ( -0.345 -5.724 -1.380) 5.898 9.219 ( -3.210 1.091 1.709) 3.796 9.256 ( -2.343 -2.153 0.295) 3.196 9.503 ( -3.521 6.639 -2.223) 7.837 9.612 ( -3.871 -3.420 -2.541) 5.757 9.906 ( -0.581 3.332 -3.225) 4.674 9.972 ( -1.086 -2.340 -3.850) 4.634 ======================= Grid point 37 (21/74) ======================= q-point: ( 0.25 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 0.406 4.193 4.227) 5.968 0.655 ( -1.684 2.508 1.021) 3.189 0.694 ( 0.225 0.791 3.318) 3.419 0.761 ( 3.316 -3.382 0.636) 4.779 0.823 ( 1.912 -0.445 0.066) 1.964 0.870 ( -0.880 -1.831 0.565) 2.108 0.976 ( 1.981 1.420 0.360) 2.464 1.008 ( 1.956 -1.024 0.902) 2.385 1.196 ( 3.201 5.826 3.562) 7.542 1.290 ( 0.610 -2.293 1.217) 2.667 1.305 ( 2.812 1.083 -0.737) 3.102 1.339 ( 0.116 -1.313 0.597) 1.447 1.358 ( -1.208 0.566 -1.390) 1.926 1.385 ( 0.274 -0.481 0.291) 0.625 1.498 ( 1.215 6.642 2.994) 7.386 1.595 ( -1.445 -0.073 -0.240) 1.466 1.637 ( -0.678 0.220 2.952) 3.037 1.675 ( 1.947 -2.711 0.871) 3.450 1.695 ( -2.436 3.484 -1.184) 4.413 1.805 ( -1.270 2.701 0.803) 3.091 1.808 ( -0.611 -5.985 0.367) 6.027 1.898 ( 0.025 -3.229 2.337) 3.986 1.988 ( 1.491 2.092 0.985) 2.751 2.025 ( 2.233 0.682 -2.551) 3.458 2.083 ( 0.300 0.544 -1.684) 1.795 2.106 ( 3.364 -0.439 0.902) 3.511 2.135 ( -0.261 -0.132 2.094) 2.114 2.159 ( 2.239 -0.903 2.865) 3.746 2.279 ( -3.294 4.126 1.694) 5.545 2.316 ( 2.191 0.367 3.803) 4.405 2.335 ( 0.111 -1.513 1.301) 1.998 2.401 ( -1.258 -4.445 0.915) 4.710 2.537 ( 0.936 0.379 -2.656) 2.842 2.567 ( 0.681 -2.604 -2.504) 3.676 2.634 ( 0.538 1.499 0.935) 1.847 2.715 ( -0.949 0.056 0.656) 1.155 2.777 ( -0.123 0.236 1.488) 1.512 2.845 ( -0.876 -0.820 1.853) 2.207 2.930 ( 1.226 0.532 -2.127) 2.512 3.022 ( 1.852 -5.307 -3.293) 6.514 3.125 ( 2.187 2.132 0.596) 3.112 3.180 ( -0.901 -1.983 -0.405) 2.216 3.364 ( 0.193 2.460 -0.309) 2.487 3.404 ( -1.122 -1.503 -0.434) 1.925 3.613 ( -3.275 4.536 2.377) 6.079 3.670 ( -3.346 -0.950 2.864) 4.506 3.858 ( -0.025 2.265 0.622) 2.349 3.914 ( -1.550 -2.207 -0.185) 2.703 5.642 ( -0.497 -0.524 -1.732) 1.876 5.658 ( -0.700 -2.225 -1.057) 2.561 5.888 ( -0.977 5.156 -1.231) 5.390 5.921 ( 0.392 1.690 -1.107) 2.058 6.162 ( -1.845 5.054 -0.493) 5.403 6.317 ( -0.253 -6.920 -0.351) 6.934 6.434 ( 0.790 -1.753 -0.916) 2.130 6.438 ( -0.684 -0.651 3.338) 3.469 6.692 ( 2.950 -2.162 1.965) 4.151 6.730 ( 1.785 -4.426 4.941) 6.870 6.782 ( 0.247 3.441 0.185) 3.454 6.849 ( -1.363 -1.474 -2.500) 3.206 6.959 ( 0.587 8.133 -3.498) 8.873 7.082 ( 1.511 -0.870 1.722) 2.451 7.309 ( -2.288 -0.349 -2.588) 3.472 7.371 ( -1.111 -3.925 -0.138) 4.081 7.587 ( 3.721 1.456 1.177) 4.166 7.626 ( 0.119 -1.026 3.479) 3.629 7.849 ( 4.404 5.657 -7.696) 10.518 7.967 ( 3.929 -3.980 -8.237) 9.956 8.126 ( 0.715 0.001 0.658) 0.971 8.167 ( -0.394 -3.392 -0.298) 3.428 8.313 ( -3.272 1.959 2.852) 4.762 8.353 ( -3.122 -1.846 3.740) 5.210 8.625 ( 1.156 0.784 0.617) 1.527 8.657 ( 2.149 -1.776 0.126) 2.791 8.763 ( -0.387 4.052 -0.867) 4.162 8.806 ( -0.911 2.248 0.116) 2.429 8.900 ( -1.002 -0.586 -1.533) 1.923 8.946 ( -1.377 -2.806 -1.081) 3.308 9.190 ( -0.985 1.411 1.381) 2.206 9.231 ( -1.172 -2.157 -0.636) 2.536 9.451 ( -1.527 3.613 1.082) 4.069 9.532 ( -2.601 -3.376 -0.907) 4.357 9.855 ( -1.311 2.921 -3.357) 4.639 9.906 ( -1.919 -1.479 -3.449) 4.215 ======================= Grid point 38 (22/74) ======================= q-point: ( 0.38 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -2.260 8.047 2.578) 8.747 0.621 ( -0.772 2.521 2.121) 3.383 0.731 ( 0.534 0.942 1.466) 1.822 0.825 ( 1.897 -5.334 -0.019) 5.661 0.869 ( 3.098 1.024 0.932) 3.393 0.887 ( 2.682 0.590 0.455) 2.783 1.020 ( 1.624 -0.266 0.771) 1.817 1.034 ( 1.441 -0.505 -0.828) 1.737 1.225 ( -4.196 2.545 -2.478) 5.497 1.251 ( 0.123 2.758 -0.549) 2.815 1.311 ( -0.667 1.687 1.322) 2.245 1.357 ( 1.198 1.568 0.191) 1.982 1.387 ( 2.900 -2.207 -0.313) 3.658 1.403 ( -0.785 0.378 1.124) 1.422 1.540 ( 0.819 1.140 2.117) 2.540 1.581 ( -1.031 1.539 -2.233) 2.901 1.602 ( -0.365 0.597 -2.185) 2.295 1.669 ( -0.523 -0.926 0.974) 1.442 1.681 ( 1.031 -1.307 -2.330) 2.863 1.776 ( -1.890 -4.065 -1.411) 4.699 1.823 ( -0.803 -2.119 4.817) 5.323 1.885 ( -2.898 -2.970 2.440) 4.814 2.014 ( 1.178 1.662 -0.460) 2.088 2.041 ( 1.135 1.015 -1.236) 1.961 2.067 ( -0.595 1.031 -0.597) 1.332 2.111 ( 0.092 -3.269 -0.904) 3.393 2.169 ( -0.086 2.921 1.241) 3.175 2.183 ( -1.863 2.237 -2.244) 3.676 2.221 ( -0.106 2.422 1.460) 2.830 2.289 ( -0.814 -0.118 -0.856) 1.187 2.365 ( -0.400 -4.452 -0.651) 4.517 2.406 ( -0.649 -4.364 -0.362) 4.426 2.544 ( 1.225 1.541 -2.746) 3.379 2.587 ( 2.238 -2.315 -2.757) 4.239 2.711 ( -1.151 2.013 2.966) 3.765 2.727 ( 1.516 2.906 2.018) 3.849 2.819 ( -1.117 -0.137 3.460) 3.638 2.851 ( 0.253 -0.346 1.249) 1.320 2.957 ( 2.387 0.008 1.079) 2.620 3.000 ( 4.318 -2.357 1.741) 5.219 3.191 ( 1.490 0.909 1.610) 2.375 3.229 ( 3.939 -2.960 2.342) 5.455 3.358 ( -0.807 0.658 0.136) 1.050 3.367 ( -2.301 -0.328 0.036) 2.325 3.569 ( -2.803 4.099 1.612) 5.221 3.620 ( -3.761 -0.789 1.808) 4.247 3.840 ( -1.396 1.699 -0.061) 2.200 3.885 ( -1.386 -2.035 0.390) 2.493 5.628 ( 0.286 -0.106 -0.510) 0.594 5.650 ( 0.635 -2.324 -0.843) 2.552 5.856 ( -0.529 4.988 -1.873) 5.354 5.922 ( 0.087 -1.279 -0.528) 1.387 6.143 ( 0.138 8.373 0.509) 8.389 6.286 ( -2.645 -2.447 -0.570) 3.649 6.402 ( -3.793 -2.552 -0.163) 4.574 6.415 ( -0.866 -4.533 0.196) 4.619 6.684 ( -1.716 0.482 -3.261) 3.716 6.738 ( -0.931 -4.456 -1.533) 4.804 6.822 ( -0.373 -0.098 2.085) 2.121 6.829 ( -0.808 -0.332 3.309) 3.422 6.976 ( 3.089 8.570 -1.371) 9.213 7.147 ( 3.683 -5.077 -0.217) 6.276 7.295 ( 2.192 2.996 -0.750) 3.787 7.379 ( 0.904 -2.577 0.020) 2.731 7.634 ( 0.797 1.383 0.232) 1.613 7.668 ( 0.942 -1.346 2.735) 3.191 7.868 ( 5.076 4.359 -7.841) 10.307 7.967 ( 3.446 -3.960 -6.208) 8.130 8.152 ( 1.118 1.529 0.491) 1.956 8.183 ( 1.274 -1.583 1.327) 2.427 8.265 ( -3.476 1.808 1.814) 4.318 8.309 ( -4.889 -2.128 4.062) 6.703 8.658 ( 1.572 2.174 0.209) 2.691 8.696 ( 1.776 -1.392 1.067) 2.496 8.738 ( -1.444 0.580 -0.160) 1.565 8.780 ( -3.024 -2.236 -0.456) 3.788 8.840 ( -1.069 3.981 -1.299) 4.322 8.931 ( -0.188 -3.934 -0.943) 4.050 9.187 ( -0.554 0.796 -1.535) 1.816 9.200 ( -0.325 -0.374 -0.498) 0.703 9.448 ( -1.109 2.381 2.373) 3.540 9.508 ( -0.519 -2.700 1.734) 3.251 9.813 ( -0.130 2.404 -2.127) 3.212 9.854 ( -0.549 -1.143 -2.231) 2.566 ======================= Grid point 39 (23/74) ======================= q-point: (-0.50 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( -1.614 8.130 1.396) 8.405 0.627 ( -1.016 2.273 2.369) 3.437 0.741 ( -0.623 2.124 0.827) 2.363 0.838 ( 0.073 -4.194 0.131) 4.196 0.925 ( 1.008 3.264 0.916) 3.537 0.976 ( 4.002 0.471 1.730) 4.385 1.006 ( -3.841 -0.110 1.700) 4.202 1.033 ( -1.532 -3.438 -0.990) 3.891 1.168 ( 0.972 4.349 -3.520) 5.679 1.229 ( -0.029 -0.880 -2.296) 2.459 1.307 ( -0.970 1.476 1.153) 2.109 1.332 ( -1.002 1.659 -3.161) 3.708 1.387 ( 0.378 1.832 -0.033) 1.871 1.437 ( 0.302 -1.709 1.983) 2.635 1.511 ( -3.073 2.835 -1.465) 4.430 1.554 ( 1.101 4.966 -4.098) 6.532 1.606 ( -0.178 -2.136 -0.472) 2.195 1.656 ( 0.449 -2.186 -2.489) 3.343 1.718 ( 2.895 -1.838 -0.011) 3.429 1.739 ( -0.277 -1.253 0.136) 1.290 1.816 ( -3.095 -0.594 3.203) 4.493 1.893 ( -0.055 -7.018 4.627) 8.406 2.020 ( 0.110 1.268 -1.347) 1.853 2.038 ( -1.064 0.734 -0.608) 1.428 2.047 ( -0.572 1.701 -1.987) 2.677 2.108 ( 0.143 -3.048 -1.141) 3.257 2.149 ( 0.508 2.101 -0.704) 2.273 2.163 ( -0.883 1.277 -0.763) 1.731 2.216 ( -1.930 1.938 -0.963) 2.900 2.292 ( 1.040 -0.840 -0.044) 1.338 2.329 ( -2.340 -2.118 -3.487) 4.703 2.375 ( -0.975 -5.165 -1.332) 5.423 2.520 ( 0.742 0.893 -6.041) 6.152 2.571 ( 1.241 -3.654 -5.708) 6.890 2.698 ( -1.674 4.314 0.089) 4.629 2.706 ( -1.063 2.073 1.712) 2.891 2.805 ( -3.730 -1.226 5.314) 6.607 2.825 ( -1.326 -0.449 -0.044) 1.401 3.083 ( 3.503 1.221 6.635) 7.602 3.156 ( 3.413 -5.777 6.828) 9.573 3.227 ( -0.291 3.321 1.197) 3.542 3.269 ( -2.182 -0.529 2.964) 3.719 3.346 ( 0.384 0.715 2.026) 2.183 3.359 ( 0.759 -0.287 0.960) 1.256 3.545 ( -1.051 3.464 0.847) 3.718 3.584 ( -1.318 -0.512 1.716) 2.223 3.834 ( 0.600 1.210 0.759) 1.550 3.872 ( -0.228 -1.884 0.333) 1.927 5.645 ( 1.149 0.114 0.906) 1.468 5.663 ( 1.018 -1.772 0.013) 2.043 5.845 ( 1.348 4.759 -1.776) 5.256 5.921 ( 0.716 -2.524 -0.457) 2.663 6.162 ( 0.105 7.421 1.739) 7.623 6.227 ( -0.590 0.231 -4.658) 4.701 6.327 ( -2.668 0.250 -0.683) 2.766 6.423 ( 1.258 -6.892 -0.014) 7.006 6.626 ( -0.792 0.158 -3.669) 3.757 6.694 ( -0.748 -5.924 -3.699) 7.023 6.830 ( 0.463 0.806 1.261) 1.567 6.849 ( -0.980 -1.348 4.669) 4.958 7.014 ( 0.933 8.173 0.210) 8.229 7.170 ( -0.750 -4.805 -1.600) 5.120 7.341 ( 1.616 2.044 -0.181) 2.611 7.378 ( -0.025 -0.501 -1.099) 1.208 7.625 ( -2.832 2.999 0.877) 4.217 7.694 ( 0.067 -2.678 1.760) 3.206 7.897 ( 4.850 3.286 -6.567) 8.800 7.990 ( 3.943 -4.517 -4.949) 7.775 8.173 ( 0.563 2.634 0.563) 2.752 8.216 ( 0.177 0.610 3.564) 3.620 8.239 ( -0.826 -1.134 0.541) 1.504 8.266 ( -3.044 -2.009 4.628) 5.892 8.646 ( -2.692 2.409 -2.913) 4.641 8.695 ( -1.947 -1.335 -0.440) 2.401 8.728 ( 1.081 0.587 1.038) 1.609 8.773 ( 2.462 -0.942 1.532) 3.049 8.846 ( 1.318 1.690 0.313) 2.166 8.916 ( 0.069 -3.681 -1.971) 4.176 9.154 ( -0.530 2.714 -2.596) 3.793 9.203 ( 0.663 -1.721 -0.690) 1.970 9.448 ( -0.996 3.369 2.430) 4.272 9.528 ( 0.038 -3.375 3.222) 4.666 9.821 ( 2.002 1.877 -0.221) 2.753 9.852 ( 1.767 -0.806 -0.802) 2.101 ======================= Grid point 40 (24/74) ======================= q-point: (-0.38 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -1.567 3.588 2.969) 4.914 0.646 ( 1.198 -0.680 2.472) 2.830 0.699 ( -5.052 5.738 -1.009) 7.711 0.827 ( -1.151 -2.320 -0.730) 2.691 0.894 ( -3.013 -0.981 2.250) 3.886 0.931 ( -5.405 -3.707 -0.144) 6.556 1.003 ( -0.859 2.055 3.037) 3.766 1.049 ( -0.147 -1.891 1.733) 2.569 1.147 ( -0.364 5.637 -2.720) 6.269 1.204 ( 1.278 0.017 -3.685) 3.900 1.319 ( 1.446 1.173 -0.452) 1.916 1.335 ( 2.387 -0.484 -2.305) 3.353 1.391 ( -0.879 2.229 0.572) 2.463 1.428 ( -0.578 2.758 -0.375) 2.843 1.452 ( -2.858 2.250 1.226) 3.838 1.534 ( -2.024 5.880 -2.692) 6.777 1.575 ( -0.617 -3.961 -1.027) 4.139 1.646 ( -0.293 -2.886 -3.398) 4.468 1.719 ( -2.328 -0.064 -1.054) 2.556 1.744 ( 0.449 -0.794 -0.732) 1.169 1.812 ( -0.525 1.064 2.850) 3.087 1.931 ( -1.079 -6.545 1.440) 6.788 1.950 ( -4.285 0.759 -5.284) 6.845 1.973 ( -2.157 0.627 -6.338) 6.724 2.020 ( 0.774 5.003 -2.883) 5.826 2.076 ( -1.257 0.431 -0.546) 1.437 2.107 ( -1.744 -1.044 -3.104) 3.710 2.129 ( -0.364 -3.714 -2.776) 4.651 2.202 ( 0.181 3.541 2.140) 4.142 2.270 ( -1.170 -1.733 0.436) 2.136 2.314 ( 1.202 -0.437 -0.027) 1.280 2.359 ( 0.459 -5.386 -0.667) 5.447 2.500 ( 3.361 0.829 -5.518) 6.514 2.571 ( 3.385 -4.794 -5.103) 7.777 2.693 ( -0.548 4.756 2.911) 5.603 2.754 ( 1.795 1.287 6.737) 7.090 2.778 ( -3.527 -2.162 4.739) 6.291 2.831 ( 0.602 -2.336 3.157) 3.973 3.153 ( -3.060 0.500 3.880) 4.967 3.169 ( -2.449 0.611 2.123) 3.298 3.220 ( -5.294 -0.141 2.430) 5.827 3.238 ( 0.111 -2.649 3.055) 4.045 3.388 ( 0.475 1.871 2.131) 2.875 3.408 ( 1.905 -0.164 2.534) 3.175 3.555 ( 1.013 3.998 1.543) 4.403 3.595 ( 0.420 -0.329 1.519) 1.609 3.842 ( -0.484 1.961 -0.601) 2.108 3.898 ( 1.912 -2.439 0.944) 3.239 5.669 ( 0.470 0.168 0.162) 0.524 5.685 ( 1.194 -1.457 0.435) 1.933 5.871 ( 2.111 3.983 -0.974) 4.612 5.937 ( 0.546 -2.516 0.004) 2.575 6.174 ( 1.278 3.961 -1.702) 4.497 6.197 ( 2.847 2.477 -3.906) 5.431 6.308 ( 1.117 2.869 -1.488) 3.420 6.458 ( 2.658 -7.985 -0.640) 8.440 6.581 ( -0.903 -0.058 -3.091) 3.221 6.645 ( -1.532 -6.424 -2.590) 7.094 6.869 ( 0.742 0.896 1.778) 2.124 6.880 ( 0.873 -0.719 3.850) 4.012 7.006 ( -2.272 5.866 1.063) 6.379 7.105 ( -3.722 -1.061 -2.173) 4.438 7.327 ( -0.115 1.017 -1.867) 2.129 7.385 ( 0.987 -2.537 -1.280) 3.008 7.554 ( -4.780 6.250 0.738) 7.903 7.696 ( -2.538 -5.820 3.102) 7.067 7.928 ( 3.656 2.318 -4.028) 5.913 8.003 ( 1.856 -4.195 -4.404) 6.359 8.194 ( 0.777 2.064 0.953) 2.403 8.233 ( -0.684 -0.630 1.775) 2.004 8.263 ( 1.541 -0.728 1.792) 2.473 8.271 ( -1.086 -1.054 4.013) 4.289 8.580 ( -0.620 2.794 -2.532) 3.821 8.655 ( -1.226 -3.751 -1.277) 4.148 8.769 ( 1.267 4.262 1.296) 4.632 8.823 ( 1.211 2.405 0.244) 2.704 8.883 ( 2.192 -3.018 0.097) 3.732 8.904 ( 1.185 -2.647 -2.713) 3.971 9.126 ( 0.033 4.635 -1.801) 4.973 9.210 ( 1.001 -3.179 -0.803) 3.429 9.463 ( 0.287 4.782 2.738) 5.517 9.569 ( 1.200 -4.272 3.597) 5.712 9.869 ( 2.691 1.691 0.311) 3.193 9.898 ( 3.148 -0.722 -0.242) 3.238 ======================= Grid point 41 (25/74) ======================= q-point: (-0.25 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( -10.021 7.439 -2.631) 12.755 0.551 ( -3.986 6.888 2.462) 8.331 0.687 ( -1.810 -4.012 0.490) 4.428 0.765 ( -2.951 -7.494 -0.952) 8.110 0.865 ( -0.974 1.409 1.136) 2.055 0.898 ( -1.044 -0.475 2.773) 3.001 0.996 ( -3.756 -0.601 2.782) 4.712 1.007 ( -4.371 0.051 1.981) 4.800 1.110 ( -1.818 5.046 -0.992) 5.454 1.197 ( -2.453 -2.231 -1.909) 3.826 1.244 ( -7.075 4.601 -4.030) 9.353 1.322 ( -2.104 -0.886 -2.582) 3.447 1.358 ( -3.299 6.688 -1.837) 7.680 1.399 ( -3.308 2.206 0.136) 3.978 1.419 ( 0.897 0.226 0.581) 1.092 1.462 ( -1.401 0.151 -1.043) 1.753 1.551 ( -0.702 -3.096 -0.990) 3.325 1.595 ( 1.649 -3.429 -0.535) 3.842 1.703 ( 0.607 2.704 0.274) 2.785 1.774 ( 4.090 -2.350 -1.002) 4.823 1.811 ( -0.737 0.230 0.266) 0.817 1.835 ( -2.271 1.700 -1.651) 3.283 1.900 ( 1.890 -0.067 -1.440) 2.377 1.950 ( -0.771 -0.922 0.203) 1.219 2.025 ( 2.136 4.186 -2.554) 5.349 2.071 ( 0.155 -0.006 -1.184) 1.194 2.088 ( 0.835 -0.545 -0.113) 1.004 2.107 ( 0.594 -2.244 -3.148) 3.911 2.203 ( -0.924 2.636 0.812) 2.909 2.269 ( -0.264 -3.101 0.976) 3.262 2.332 ( 0.889 0.137 -0.724) 1.155 2.377 ( 1.316 -6.857 0.036) 6.982 2.523 ( 3.415 1.336 -4.492) 5.799 2.588 ( 3.431 -4.171 -5.298) 7.565 2.708 ( -1.361 3.304 3.892) 5.283 2.765 ( -2.086 -2.216 4.028) 5.049 2.857 ( 1.184 0.169 5.351) 5.483 2.894 ( 0.644 -2.613 4.249) 5.029 3.073 ( -4.340 2.279 2.838) 5.664 3.142 ( -4.057 -3.696 5.636) 7.867 3.189 ( 0.135 3.854 0.753) 3.929 3.270 ( 1.126 -3.690 1.426) 4.113 3.404 ( -0.770 2.763 2.136) 3.576 3.437 ( -0.171 -0.777 0.674) 1.043 3.587 ( 0.087 2.754 1.867) 3.329 3.614 ( -0.176 0.188 1.972) 1.989 3.806 ( -2.074 5.416 -2.056) 6.153 3.924 ( 0.160 -4.270 -0.246) 4.280 5.675 ( 0.733 0.689 -0.371) 1.073 5.705 ( 0.673 -2.360 0.123) 2.458 5.885 ( 0.885 3.228 -1.816) 3.808 5.928 ( -0.880 -1.403 -0.890) 1.880 6.198 ( 3.156 4.498 -3.090) 6.304 6.255 ( 2.213 5.666 2.349) 6.521 6.311 ( 0.781 0.452 -2.423) 2.586 6.490 ( -0.092 -5.872 0.418) 5.888 6.547 ( 0.605 -1.312 -2.934) 3.270 6.592 ( -2.226 -9.082 -1.656) 9.496 6.853 ( -1.251 4.962 -3.947) 6.463 6.931 ( 1.424 -0.864 2.283) 2.826 6.995 ( -2.148 0.100 0.494) 2.207 7.011 ( -1.823 -3.743 1.295) 4.360 7.339 ( 3.106 2.017 -2.853) 4.675 7.386 ( 0.754 -1.671 -1.892) 2.634 7.487 ( -3.101 7.252 2.437) 8.255 7.664 ( -3.911 -7.966 4.129) 9.788 7.960 ( 2.455 1.222 -2.439) 3.670 7.988 ( 0.609 -1.532 -4.021) 4.346 8.201 ( -0.295 1.750 -0.153) 1.782 8.237 ( -0.361 -1.425 1.136) 1.858 8.274 ( -1.353 -0.110 2.768) 3.083 8.305 ( 0.157 -2.464 2.079) 3.228 8.577 ( 1.497 1.959 -1.308) 2.791 8.628 ( -0.806 -2.680 -1.063) 2.993 8.767 ( -1.035 5.684 -1.826) 6.059 8.833 ( 1.224 4.187 -2.527) 5.041 8.892 ( 0.559 -3.934 -2.297) 4.589 8.933 ( 2.228 -4.497 -0.901) 5.099 9.145 ( 2.698 5.699 1.312) 6.440 9.236 ( 2.006 -3.192 0.942) 3.886 9.511 ( 2.575 7.332 2.219) 8.082 9.638 ( 2.752 -3.947 2.957) 5.648 9.914 ( 1.862 1.611 -0.412) 2.496 9.948 ( 2.622 -1.220 -1.473) 3.245 ======================= Grid point 42 (26/74) ======================= q-point: (-0.12 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.313 ( -9.549 6.281 1.253) 11.498 0.424 ( -9.115 0.018 1.129) 9.184 0.528 ( -10.822 4.442 -0.022) 11.698 0.716 ( -5.574 -8.699 1.016) 10.382 0.847 ( -4.063 8.515 5.187) 10.766 0.860 ( -3.808 6.931 3.583) 8.683 0.939 ( -1.181 0.153 1.475) 1.896 0.981 ( -0.746 -5.978 -1.695) 6.258 1.062 ( -1.315 4.998 0.858) 5.239 1.134 ( -0.256 -0.377 0.522) 0.693 1.172 ( 0.654 7.247 2.320) 7.637 1.286 ( -0.669 1.085 -1.884) 2.275 1.317 ( -1.049 -0.852 -0.048) 1.353 1.357 ( -1.263 4.041 1.038) 4.359 1.412 ( -2.184 -3.716 1.335) 4.513 1.461 ( 1.186 -1.866 1.441) 2.639 1.567 ( 2.087 -1.412 -1.975) 3.202 1.612 ( 0.763 -3.553 -0.695) 3.700 1.737 ( 0.654 3.232 1.733) 3.725 1.801 ( -0.824 -0.994 1.150) 1.729 1.820 ( 0.425 -1.464 2.895) 3.272 1.832 ( 0.562 -3.743 -0.013) 3.785 1.950 ( 1.577 1.655 -1.232) 2.597 1.957 ( 2.642 0.168 -0.357) 2.671 2.042 ( 1.868 2.408 -3.015) 4.287 2.072 ( 1.223 0.959 -1.312) 2.034 2.090 ( 0.367 0.990 -2.209) 2.448 2.100 ( 1.091 -1.009 0.328) 1.522 2.204 ( 0.612 1.852 0.616) 2.046 2.270 ( -0.607 -1.950 1.120) 2.329 2.333 ( 0.384 0.050 -1.156) 1.220 2.397 ( 0.689 -7.350 0.256) 7.387 2.546 ( 2.980 0.631 -3.973) 5.007 2.598 ( 2.423 -4.366 -4.792) 6.921 2.713 ( -0.901 2.323 2.226) 3.341 2.764 ( -1.937 -2.350 2.668) 4.049 2.850 ( -4.265 0.269 2.224) 4.817 2.870 ( -3.982 -1.411 3.478) 5.472 3.093 ( -0.210 1.711 2.090) 2.709 3.133 ( -2.246 -1.504 1.623) 3.153 3.230 ( 3.285 2.947 1.572) 4.685 3.305 ( 1.006 -2.959 0.505) 3.166 3.403 ( -1.215 0.168 1.850) 2.220 3.419 ( -1.675 -0.983 -0.294) 1.964 3.597 ( -0.470 2.441 2.521) 3.541 3.626 ( -1.041 -0.207 3.495) 3.653 3.742 ( -1.816 8.354 -1.827) 8.742 3.905 ( -0.908 -5.503 -0.924) 5.654 5.709 ( 2.250 -0.271 1.652) 2.804 5.723 ( 0.662 -1.920 2.078) 2.906 5.887 ( 1.377 2.606 -1.669) 3.387 5.910 ( 0.853 0.142 -1.129) 1.422 6.179 ( -4.178 6.095 -0.257) 7.394 6.261 ( -0.610 6.400 1.582) 6.621 6.324 ( -0.470 -5.152 -1.144) 5.299 6.454 ( -11.395 -11.056 -3.467) 16.252 6.476 ( -0.146 0.555 -1.706) 1.800 6.534 ( -1.196 -3.108 1.024) 3.484 6.811 ( 2.306 5.025 -4.943) 7.417 6.907 ( 0.093 -2.442 -3.572) 4.328 7.026 ( 4.289 -0.015 2.612) 5.022 7.081 ( 3.945 -3.422 1.494) 5.432 7.349 ( 0.322 1.769 -1.869) 2.594 7.382 ( 0.855 -0.661 -1.160) 1.586 7.503 ( 0.973 5.199 3.598) 6.397 7.629 ( -3.780 -6.012 3.774) 8.042 7.944 ( -0.820 1.553 -4.834) 5.143 7.963 ( 0.574 -0.165 -3.700) 3.748 8.197 ( 0.212 0.777 -0.290) 0.856 8.234 ( -0.609 -1.709 -0.503) 1.883 8.261 ( -2.558 0.313 2.915) 3.891 8.321 ( -1.230 -2.825 4.645) 5.574 8.581 ( -0.820 0.365 -1.280) 1.563 8.599 ( 0.081 -0.831 -1.875) 2.052 8.740 ( 0.280 5.774 -1.279) 5.921 8.816 ( 1.760 3.508 -6.006) 7.175 8.882 ( 0.060 -2.914 -1.196) 3.150 8.952 ( 1.065 -5.475 -0.657) 5.616 9.229 ( 2.704 4.076 2.511) 5.498 9.296 ( 2.425 -2.178 1.241) 3.488 9.606 ( 6.698 9.451 -1.945) 11.746 9.706 ( 1.990 -1.695 0.591) 2.680 9.929 ( 0.530 1.045 -0.881) 1.467 9.964 ( 1.788 -1.514 -2.964) 3.778 ======================= Grid point 51 (27/74) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( -0.453 0.000 10.686) 10.696 0.538 ( -1.277 0.000 10.854) 10.929 0.714 ( 5.832 0.000 9.211) 10.902 0.771 ( -0.350 0.000 -1.083) 1.138 0.846 ( -0.410 0.000 2.222) 2.259 0.923 ( -2.707 0.000 2.903) 3.969 0.982 ( -1.317 0.000 0.613) 1.453 0.982 ( -2.177 0.000 6.905) 7.240 1.030 ( -0.031 0.000 5.805) 5.805 1.253 ( 1.096 0.000 -0.151) 1.106 1.261 ( 1.865 0.000 0.178) 1.874 1.268 ( -0.677 0.000 12.943) 12.960 1.353 ( -2.012 0.000 3.794) 4.294 1.389 ( 0.849 0.000 4.722) 4.798 1.435 ( -0.932 0.000 -2.416) 2.589 1.573 ( 4.900 0.000 -0.505) 4.926 1.598 ( 2.182 0.000 4.534) 5.032 1.673 ( 4.800 0.000 1.912) 5.167 1.729 ( -1.572 0.000 -1.971) 2.521 1.761 ( -0.830 0.000 -0.212) 0.857 1.834 ( -1.438 0.000 -6.525) 6.682 1.900 ( 3.041 0.000 -0.704) 3.121 1.911 ( 0.204 0.000 2.047) 2.058 1.954 ( -1.561 0.000 1.857) 2.426 2.015 ( 1.755 0.000 -5.567) 5.837 2.027 ( -0.263 0.000 1.797) 1.816 2.130 ( 0.705 0.000 2.840) 2.927 2.216 ( 0.591 0.000 3.719) 3.766 2.219 ( 3.276 0.000 -1.126) 3.464 2.254 ( -0.561 0.000 0.382) 0.679 2.352 ( 1.027 0.000 0.845) 1.330 2.451 ( 3.235 0.000 -3.131) 4.502 2.521 ( 0.641 0.000 -5.147) 5.187 2.634 ( -2.418 0.000 1.635) 2.918 2.664 ( -2.274 0.000 1.465) 2.705 2.794 ( -3.163 0.000 -4.196) 5.254 2.799 ( 1.876 0.000 0.143) 1.882 2.898 ( -5.056 0.000 3.022) 5.891 3.076 ( -4.396 0.000 2.538) 5.076 3.156 ( -4.198 0.000 -4.210) 5.945 3.161 ( -2.649 0.000 3.146) 4.113 3.192 ( -3.192 0.000 -2.108) 3.825 3.311 ( -1.339 0.000 -2.952) 3.241 3.434 ( -0.517 0.000 -1.556) 1.640 3.647 ( -1.656 0.000 4.507) 4.801 3.729 ( 4.466 0.000 4.333) 6.222 3.782 ( -1.693 0.000 6.213) 6.440 3.964 ( 0.494 0.000 0.009) 0.494 5.696 ( -2.398 0.000 -1.691) 2.934 5.742 ( -1.439 0.000 -1.882) 2.369 5.905 ( -5.942 0.000 -1.762) 6.198 5.961 ( -4.875 0.000 1.601) 5.131 6.127 ( 8.237 0.000 2.495) 8.607 6.236 ( 2.597 0.000 1.281) 2.896 6.284 ( 10.269 0.000 1.702) 10.409 6.324 ( 3.522 0.000 -2.160) 4.131 6.535 ( -1.071 0.000 2.289) 2.527 6.722 ( 4.854 0.000 -2.209) 5.333 6.742 ( -1.616 0.000 8.228) 8.385 6.887 ( 2.313 0.000 -3.018) 3.802 7.006 ( -5.414 0.000 -3.674) 6.543 7.087 ( -1.533 0.000 -1.310) 2.016 7.356 ( 2.749 0.000 1.528) 3.146 7.435 ( 4.167 0.000 -1.612) 4.468 7.546 ( -5.807 0.000 1.546) 6.009 7.690 ( -2.041 0.000 3.187) 3.784 7.740 ( 1.994 0.000 -7.584) 7.842 7.794 ( -0.441 0.000 -7.733) 7.746 8.123 ( -1.480 0.000 -1.640) 2.209 8.269 ( -0.210 0.000 -0.129) 0.247 8.364 ( 0.867 0.000 4.758) 4.836 8.483 ( 5.841 0.000 -0.573) 5.869 8.530 ( -6.514 0.000 2.940) 7.146 8.622 ( 0.827 0.000 -0.339) 0.894 8.632 ( 2.252 0.000 -3.199) 3.913 8.718 ( 3.024 0.000 3.967) 4.988 8.877 ( 0.238 0.000 -0.645) 0.687 9.076 ( -1.040 0.000 -1.036) 1.468 9.234 ( 3.208 0.000 -2.668) 4.173 9.312 ( -0.642 0.000 -2.053) 2.151 9.414 ( -1.506 0.000 3.564) 3.869 9.689 ( -2.477 0.000 -1.304) 2.800 9.835 ( -1.142 0.000 -4.468) 4.612 9.934 ( 1.617 0.000 -5.199) 5.445 ======================= Grid point 52 (28/74) ======================= q-point: ( 0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -0.961 0.000 8.545) 8.599 0.628 ( 3.194 0.000 7.238) 7.912 0.703 ( -3.335 0.000 0.252) 3.345 0.825 ( -2.930 0.000 1.048) 3.112 0.875 ( 1.081 0.000 2.629) 2.843 0.915 ( -0.855 0.000 1.560) 1.779 0.956 ( -1.177 0.000 0.403) 1.244 1.014 ( -0.161 0.000 4.342) 4.345 1.145 ( 2.669 0.000 9.289) 9.665 1.273 ( 1.077 0.000 -0.295) 1.117 1.310 ( 2.725 0.000 0.936) 2.881 1.359 ( 0.393 0.000 1.445) 1.497 1.367 ( 0.245 0.000 7.679) 7.683 1.390 ( 0.136 0.000 -2.207) 2.212 1.404 ( -1.128 0.000 1.574) 1.936 1.605 ( 0.147 0.000 -1.617) 1.624 1.657 ( 0.219 0.000 1.192) 1.212 1.697 ( -0.991 0.000 -0.780) 1.261 1.728 ( -2.238 0.000 2.075) 3.052 1.753 ( 0.158 0.000 -4.149) 4.152 1.836 ( 4.994 0.000 2.050) 5.398 1.919 ( -1.585 0.000 3.337) 3.695 1.974 ( 1.188 0.000 -5.969) 6.086 1.979 ( 2.246 0.000 3.055) 3.792 2.022 ( 5.689 0.000 2.649) 6.276 2.027 ( -1.052 0.000 0.983) 1.440 2.168 ( 0.887 0.000 1.810) 2.015 2.239 ( -1.731 0.000 3.028) 3.488 2.243 ( 0.589 0.000 -1.354) 1.476 2.287 ( 4.231 0.000 -0.184) 4.235 2.358 ( -1.142 0.000 -1.300) 1.730 2.482 ( 1.158 0.000 -1.790) 2.132 2.493 ( 0.832 0.000 -1.356) 1.591 2.607 ( -1.170 0.000 2.803) 3.037 2.621 ( -3.263 0.000 -0.332) 3.280 2.714 ( -0.369 0.000 0.232) 0.436 2.820 ( -3.726 0.000 -0.642) 3.781 2.822 ( -0.155 0.000 -2.659) 2.663 3.048 ( -2.858 0.000 4.810) 5.595 3.053 ( -1.526 0.000 -2.713) 3.113 3.124 ( -0.686 0.000 -1.588) 1.730 3.160 ( -0.413 0.000 3.022) 3.050 3.301 ( 1.396 0.000 -1.130) 1.796 3.431 ( 0.967 0.000 -1.231) 1.565 3.643 ( -3.314 0.000 4.718) 5.766 3.786 ( -3.338 0.000 4.451) 5.564 3.827 ( 2.116 0.000 2.515) 3.287 3.962 ( -0.689 0.000 -0.163) 0.708 5.642 ( -1.140 0.000 -2.054) 2.349 5.717 ( 0.543 0.000 -1.583) 1.674 5.804 ( -4.240 0.000 0.602) 4.282 5.884 ( -2.842 0.000 -0.588) 2.903 6.236 ( -4.000 0.000 2.861) 4.918 6.312 ( 8.331 0.000 -1.968) 8.561 6.409 ( 3.608 0.000 -3.797) 5.238 6.415 ( 5.402 0.000 4.281) 6.893 6.635 ( 7.452 0.000 0.317) 7.459 6.731 ( -1.543 0.000 -1.313) 2.026 6.803 ( -0.925 0.000 4.438) 4.533 6.873 ( -2.909 0.000 1.151) 3.128 6.875 ( -1.168 0.000 -3.466) 3.658 7.091 ( 3.255 0.000 -0.783) 3.348 7.352 ( -6.456 0.000 -1.197) 6.566 7.459 ( -0.757 0.000 -0.138) 0.769 7.471 ( 2.591 0.000 0.188) 2.598 7.646 ( -1.413 0.000 -8.085) 8.207 7.717 ( -0.464 0.000 4.493) 4.517 7.810 ( 6.829 0.000 -7.842) 10.399 8.110 ( 1.001 0.000 -0.207) 1.022 8.243 ( -1.748 0.000 -1.104) 2.067 8.370 ( -3.599 0.000 1.309) 3.830 8.465 ( -2.845 0.000 3.183) 4.269 8.594 ( 5.482 0.000 -0.435) 5.499 8.619 ( -0.218 0.000 -0.909) 0.935 8.660 ( 2.791 0.000 -1.208) 3.041 8.805 ( 0.549 0.000 5.774) 5.800 8.889 ( 1.999 0.000 -0.736) 2.131 9.018 ( -3.516 0.000 -1.708) 3.908 9.224 ( -1.391 0.000 -0.473) 1.470 9.268 ( -1.478 0.000 -3.480) 3.781 9.440 ( 0.321 0.000 4.258) 4.270 9.623 ( -3.232 0.000 -0.802) 3.330 9.777 ( -0.469 0.000 -4.821) 4.843 9.894 ( -0.361 0.000 -5.387) 5.399 ======================= Grid point 53 (29/74) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( -7.381 0.000 1.942) 7.632 0.669 ( -1.477 0.000 5.873) 6.055 0.721 ( 0.065 0.000 4.184) 4.184 0.807 ( 2.640 0.000 -0.697) 2.730 0.874 ( -1.986 0.000 1.929) 2.769 0.907 ( -0.477 0.000 -0.310) 0.569 0.956 ( 1.020 0.000 -1.002) 1.430 1.044 ( -0.163 0.000 2.517) 2.523 1.233 ( -0.640 0.000 6.291) 6.324 1.280 ( 0.295 0.000 -0.273) 0.402 1.317 ( -3.105 0.000 -1.442) 3.424 1.341 ( -2.163 0.000 -1.691) 2.745 1.385 ( 2.929 0.000 1.654) 3.364 1.394 ( -1.229 0.000 1.257) 1.758 1.478 ( 3.544 0.000 1.429) 3.821 1.597 ( 0.594 0.000 -0.776) 0.977 1.614 ( -4.782 0.000 -2.162) 5.248 1.658 ( 0.178 0.000 0.600) 0.626 1.756 ( 1.384 0.000 -0.295) 1.415 1.778 ( 1.281 0.000 5.326) 5.478 1.901 ( 1.963 0.000 -1.432) 2.430 1.939 ( 1.340 0.000 -6.440) 6.578 1.942 ( 0.913 0.000 1.700) 1.930 1.994 ( -1.810 0.000 0.508) 1.880 2.046 ( 0.659 0.000 3.132) 3.200 2.084 ( 1.303 0.000 -2.130) 2.497 2.192 ( 0.099 0.000 1.671) 1.674 2.213 ( -4.124 0.000 -0.942) 4.230 2.232 ( -0.422 0.000 2.617) 2.651 2.264 ( -0.340 0.000 -2.342) 2.367 2.368 ( 3.734 0.000 -8.226) 9.034 2.466 ( -1.880 0.000 -0.402) 1.923 2.524 ( 1.102 0.000 0.637) 1.273 2.581 ( -0.044 0.000 1.140) 1.141 2.616 ( -2.016 0.000 -0.210) 2.026 2.758 ( -2.435 0.000 0.656) 2.522 2.797 ( 0.941 0.000 -2.750) 2.906 2.846 ( 7.853 0.000 9.153) 12.060 2.990 ( -1.489 0.000 -0.182) 1.500 3.045 ( -2.040 0.000 5.678) 6.034 3.190 ( 0.435 0.000 2.991) 3.022 3.196 ( 5.991 0.000 1.633) 6.210 3.324 ( 1.601 0.000 -0.466) 1.668 3.441 ( 1.255 0.000 -1.117) 1.680 3.604 ( -5.702 0.000 5.198) 7.715 3.738 ( -4.891 0.000 2.720) 5.597 3.846 ( -1.043 0.000 0.389) 1.113 3.943 ( -1.301 0.000 0.610) 1.437 5.623 ( 0.584 0.000 -0.968) 1.130 5.711 ( 0.119 0.000 -2.376) 2.379 5.744 ( -2.705 0.000 0.156) 2.709 5.876 ( 2.619 0.000 0.422) 2.653 6.143 ( -6.949 0.000 1.263) 7.063 6.373 ( -1.132 0.000 -0.956) 1.482 6.442 ( 2.968 0.000 -2.129) 3.653 6.506 ( 0.048 0.000 -0.724) 0.726 6.651 ( -1.685 0.000 -4.023) 4.361 6.690 ( 0.735 0.000 -3.560) 3.635 6.822 ( 2.764 0.000 0.104) 2.766 6.833 ( -0.367 0.000 -0.572) 0.680 6.942 ( 0.427 0.000 7.811) 7.822 7.132 ( 1.043 0.000 2.117) 2.359 7.266 ( -0.149 0.000 -2.498) 2.502 7.428 ( -1.947 0.000 1.043) 2.209 7.543 ( 5.041 0.000 -2.211) 5.504 7.590 ( 4.050 0.000 -9.460) 10.291 7.744 ( -0.897 0.000 4.775) 4.858 7.870 ( 5.515 0.000 -4.940) 7.404 8.140 ( 0.385 0.000 0.974) 1.048 8.202 ( -0.340 0.000 -0.929) 0.989 8.301 ( -4.036 0.000 1.088) 4.180 8.444 ( -2.367 0.000 1.943) 3.062 8.609 ( 0.327 0.000 -1.066) 1.115 8.655 ( 2.701 0.000 -1.640) 3.160 8.712 ( 2.467 0.000 -0.298) 2.485 8.841 ( -1.542 0.000 4.956) 5.191 8.879 ( -3.800 0.000 -2.218) 4.400 8.967 ( 0.481 0.000 0.270) 0.551 9.187 ( -2.388 0.000 -2.904) 3.759 9.213 ( -0.591 0.000 -0.762) 0.965 9.481 ( -0.875 0.000 3.910) 4.007 9.574 ( -1.386 0.000 1.419) 1.983 9.737 ( 0.621 0.000 -3.723) 3.774 9.841 ( -0.428 0.000 -4.045) 4.068 ======================= Grid point 54 (30/74) ======================= q-point: ( 0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( -7.110 0.000 5.385) 8.919 0.683 ( -2.446 0.000 4.955) 5.526 0.746 ( 0.370 0.000 1.546) 1.590 0.864 ( 2.278 0.000 -2.012) 3.039 0.873 ( 0.482 0.000 1.487) 1.563 0.915 ( 2.610 0.000 0.573) 2.673 0.965 ( 1.325 0.000 -1.624) 2.096 1.059 ( 0.650 0.000 0.444) 0.787 1.230 ( -4.510 0.000 -2.679) 5.245 1.252 ( -1.381 0.000 3.123) 3.415 1.258 ( -2.501 0.000 1.421) 2.877 1.299 ( 0.580 0.000 -2.738) 2.799 1.382 ( -1.008 0.000 -0.288) 1.048 1.452 ( 0.925 0.000 2.248) 2.430 1.515 ( -2.440 0.000 -0.245) 2.453 1.518 ( -0.098 0.000 -2.012) 2.015 1.591 ( 0.219 0.000 -1.965) 1.977 1.688 ( 1.802 0.000 -0.761) 1.956 1.704 ( -4.072 0.000 -4.198) 5.849 1.829 ( -1.764 0.000 6.881) 7.103 1.901 ( 1.239 0.000 -4.077) 4.261 1.913 ( -3.206 0.000 0.499) 3.245 1.942 ( 3.141 0.000 -2.846) 4.238 2.010 ( 0.989 0.000 -0.565) 1.139 2.073 ( -0.192 0.000 3.169) 3.174 2.095 ( 2.361 0.000 -0.928) 2.537 2.157 ( -2.504 0.000 2.628) 3.630 2.208 ( -1.012 0.000 1.881) 2.136 2.255 ( 1.318 0.000 -3.513) 3.752 2.257 ( -0.096 0.000 1.903) 1.906 2.320 ( -0.325 0.000 -8.689) 8.695 2.419 ( -1.801 0.000 -1.529) 2.363 2.515 ( 2.663 0.000 -7.159) 7.638 2.534 ( -3.702 0.000 -3.876) 5.360 2.626 ( 1.451 0.000 3.038) 3.367 2.737 ( -1.036 0.000 -4.617) 4.732 2.753 ( -1.259 0.000 6.048) 6.177 2.972 ( -2.681 0.000 5.319) 5.957 3.055 ( 3.790 0.000 4.135) 5.609 3.168 ( 6.215 0.000 9.588) 11.427 3.226 ( 0.768 0.000 3.659) 3.739 3.313 ( 3.655 0.000 1.454) 3.934 3.350 ( 1.562 0.000 0.585) 1.668 3.457 ( 1.064 0.000 -0.817) 1.342 3.527 ( -7.334 0.000 5.729) 9.306 3.674 ( -4.075 0.000 3.103) 5.122 3.828 ( -0.613 0.000 0.934) 1.117 3.922 ( -1.540 0.000 0.565) 1.640 5.643 ( 1.259 0.000 1.170) 1.718 5.697 ( 1.419 0.000 -2.294) 2.697 5.703 ( -1.278 0.000 -1.010) 1.629 5.960 ( 4.509 0.000 0.477) 4.534 6.037 ( -4.052 0.000 0.046) 4.052 6.269 ( -7.122 0.000 -1.429) 7.264 6.408 ( -5.792 0.000 -4.833) 7.543 6.461 ( 0.963 0.000 -2.510) 2.689 6.622 ( 0.954 0.000 -0.588) 1.121 6.717 ( 4.266 0.000 -2.650) 5.022 6.818 ( -1.364 0.000 -3.011) 3.305 6.822 ( 0.015 0.000 -0.948) 0.948 7.006 ( -0.827 0.000 8.109) 8.151 7.210 ( 1.568 0.000 -2.152) 2.663 7.259 ( 2.988 0.000 2.684) 4.016 7.401 ( -1.941 0.000 -1.126) 2.244 7.607 ( 3.202 0.000 -1.310) 3.459 7.630 ( 7.875 0.000 -6.855) 10.441 7.766 ( -1.343 0.000 3.589) 3.832 7.925 ( 4.310 0.000 -3.237) 5.390 8.127 ( -0.384 0.000 0.623) 0.732 8.235 ( 2.003 0.000 0.797) 2.155 8.254 ( -2.029 0.000 1.384) 2.456 8.407 ( -3.253 0.000 1.807) 3.721 8.604 ( -0.150 0.000 -2.263) 2.268 8.697 ( 3.432 0.000 -1.103) 3.605 8.727 ( 0.314 0.000 -1.520) 1.553 8.760 ( -4.711 0.000 -0.539) 4.742 8.867 ( -0.272 0.000 3.117) 3.129 8.975 ( -0.553 0.000 -0.021) 0.553 9.105 ( -2.577 0.000 -4.019) 4.774 9.208 ( 0.259 0.000 -0.719) 0.764 9.470 ( -2.467 0.000 2.652) 3.622 9.603 ( 0.646 0.000 4.363) 4.411 9.742 ( 2.480 0.000 -1.454) 2.875 9.814 ( 0.954 0.000 -2.554) 2.726 ======================= Grid point 55 (31/74) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 5.117 0.000 9.711) 10.977 0.675 ( -3.379 0.000 5.803) 6.715 0.725 ( -3.736 0.000 -0.697) 3.801 0.860 ( -0.238 0.000 -1.103) 1.128 0.911 ( 2.272 0.000 0.975) 2.472 0.982 ( 1.664 0.000 -1.048) 1.967 1.003 ( 3.814 0.000 1.611) 4.140 1.066 ( -0.573 0.000 0.987) 1.141 1.125 ( -3.092 0.000 -3.389) 4.588 1.224 ( -3.497 0.000 0.424) 3.523 1.279 ( 2.164 0.000 2.660) 3.429 1.293 ( -5.237 0.000 -4.098) 6.649 1.299 ( 2.447 0.000 -1.438) 2.838 1.425 ( -3.136 0.000 -0.095) 3.137 1.465 ( -1.220 0.000 0.458) 1.303 1.543 ( 0.781 0.000 2.546) 2.663 1.607 ( 3.163 0.000 -2.263) 3.889 1.643 ( 0.375 0.000 -3.186) 3.208 1.670 ( -2.300 0.000 -2.941) 3.734 1.816 ( -4.427 0.000 2.136) 4.916 1.870 ( 0.244 0.000 -5.240) 5.246 1.871 ( -2.380 0.000 2.220) 3.255 1.913 ( -3.782 0.000 -7.263) 8.189 1.990 ( -1.471 0.000 -1.733) 2.274 2.082 ( -2.018 0.000 -6.591) 6.893 2.101 ( -0.035 0.000 1.928) 1.928 2.146 ( -1.725 0.000 3.484) 3.888 2.166 ( -4.540 0.000 1.672) 4.838 2.228 ( -2.697 0.000 -1.756) 3.218 2.258 ( 4.288 0.000 -3.845) 5.759 2.275 ( 1.402 0.000 -0.314) 1.437 2.380 ( 0.093 0.000 -3.267) 3.268 2.460 ( -0.223 0.000 -0.522) 0.568 2.512 ( 3.275 0.000 -7.234) 7.941 2.681 ( 0.947 0.000 4.342) 4.444 2.770 ( 5.354 0.000 1.781) 5.643 2.809 ( 0.163 0.000 8.350) 8.352 2.944 ( -4.242 0.000 4.559) 6.227 3.142 ( 2.251 0.000 1.668) 2.801 3.212 ( -2.913 0.000 2.102) 3.592 3.338 ( 0.058 0.000 -1.188) 1.189 3.361 ( 1.345 0.000 6.581) 6.718 3.401 ( 0.884 0.000 3.321) 3.437 3.441 ( -1.730 0.000 -1.367) 2.205 3.472 ( -2.402 0.000 7.386) 7.767 3.652 ( -2.154 0.000 4.661) 5.135 3.842 ( -0.314 0.000 0.401) 0.509 3.910 ( 0.537 0.000 1.427) 1.525 5.668 ( -0.329 0.000 -0.756) 0.825 5.684 ( 0.800 0.000 0.131) 0.811 5.734 ( 3.905 0.000 -1.180) 4.080 6.002 ( 2.054 0.000 -6.669) 6.978 6.021 ( 2.002 0.000 1.151) 2.309 6.134 ( -5.666 0.000 0.878) 5.734 6.273 ( -3.037 0.000 -4.153) 5.145 6.455 ( 2.224 0.000 -4.006) 4.582 6.612 ( -2.272 0.000 -2.055) 3.064 6.778 ( 2.804 0.000 -2.547) 3.789 6.793 ( 1.146 0.000 1.103) 1.590 6.832 ( 2.586 0.000 0.823) 2.714 7.059 ( -1.539 0.000 8.351) 8.492 7.137 ( -3.913 0.000 -3.485) 5.240 7.322 ( -3.106 0.000 -4.881) 5.785 7.373 ( 3.399 0.000 2.075) 3.982 7.608 ( -4.079 0.000 1.093) 4.223 7.735 ( 7.765 0.000 -3.693) 8.599 7.780 ( 1.179 0.000 3.014) 3.236 7.968 ( 3.080 0.000 -3.185) 4.430 8.162 ( 2.210 0.000 1.593) 2.725 8.246 ( -0.054 0.000 0.827) 0.829 8.259 ( 0.461 0.000 -0.240) 0.520 8.365 ( -2.839 0.000 1.863) 3.396 8.538 ( -2.932 0.000 -3.083) 4.255 8.700 ( -0.689 0.000 -2.117) 2.226 8.729 ( -0.233 0.000 1.320) 1.340 8.770 ( 3.875 0.000 0.044) 3.875 8.890 ( 0.892 0.000 0.097) 0.898 8.951 ( -1.358 0.000 0.439) 1.427 9.022 ( -2.075 0.000 -4.177) 4.664 9.209 ( 1.170 0.000 -1.769) 2.121 9.456 ( -1.712 0.000 3.072) 3.516 9.655 ( 0.416 0.000 4.574) 4.593 9.789 ( 3.029 0.000 -0.912) 3.163 9.836 ( 3.046 0.000 -0.836) 3.159 ======================= Grid point 56 (32/74) ======================= q-point: (-0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -7.644 0.000 0.358) 7.653 0.642 ( -4.768 0.000 7.373) 8.781 0.741 ( 4.759 0.000 7.551) 8.925 0.846 ( -1.138 0.000 0.492) 1.240 0.957 ( -1.038 0.000 0.782) 1.300 1.015 ( -1.668 0.000 0.899) 1.894 1.016 ( 3.647 0.000 0.960) 3.771 1.053 ( -1.609 0.000 -3.268) 3.642 1.056 ( -3.480 0.000 1.536) 3.804 1.164 ( -1.696 0.000 -0.846) 1.896 1.249 ( 3.915 0.000 -0.395) 3.935 1.308 ( -8.104 0.000 -5.143) 9.599 1.371 ( 3.036 0.000 2.107) 3.695 1.374 ( 5.085 0.000 2.687) 5.752 1.446 ( -4.769 0.000 3.270) 5.782 1.492 ( -5.535 0.000 -2.299) 5.993 1.600 ( -4.056 0.000 -4.981) 6.423 1.624 ( 0.366 0.000 0.728) 0.815 1.659 ( 3.845 0.000 -5.860) 7.009 1.713 ( -2.017 0.000 -3.355) 3.915 1.758 ( -1.801 0.000 2.063) 2.738 1.830 ( 0.891 0.000 -4.774) 4.856 1.851 ( -1.439 0.000 1.443) 2.038 1.961 ( -0.294 0.000 -0.484) 0.566 2.012 ( 0.425 0.000 -6.053) 6.068 2.060 ( -5.927 0.000 -1.386) 6.086 2.097 ( -1.045 0.000 0.272) 1.080 2.145 ( -1.112 0.000 2.329) 2.581 2.195 ( -1.343 0.000 1.199) 1.800 2.287 ( 1.713 0.000 -1.447) 2.243 2.318 ( -0.284 0.000 0.662) 0.720 2.386 ( 5.145 0.000 -4.931) 7.127 2.501 ( 3.133 0.000 -7.352) 7.991 2.506 ( 2.727 0.000 3.497) 4.435 2.727 ( -1.102 0.000 5.512) 5.621 2.887 ( -1.878 0.000 5.809) 6.105 2.910 ( 5.290 0.000 3.514) 6.351 2.930 ( 0.143 0.000 6.775) 6.776 3.149 ( -4.454 0.000 1.142) 4.599 3.154 ( -2.231 0.000 -0.113) 2.234 3.311 ( -0.396 0.000 -1.587) 1.636 3.352 ( -4.796 0.000 4.922) 6.872 3.404 ( -0.937 0.000 1.439) 1.718 3.437 ( 0.311 0.000 1.364) 1.399 3.562 ( 1.611 0.000 6.416) 6.615 3.664 ( -1.449 0.000 5.262) 5.458 3.790 ( -3.734 0.000 -2.055) 4.262 3.960 ( 1.736 0.000 1.461) 2.269 5.648 ( 0.172 0.000 -1.524) 1.534 5.713 ( 2.127 0.000 -0.346) 2.155 5.774 ( 1.171 0.000 -3.765) 3.943 5.991 ( 6.546 0.000 -6.265) 9.061 6.066 ( -4.579 0.000 2.598) 5.265 6.105 ( 3.798 0.000 2.300) 4.440 6.233 ( 2.223 0.000 -3.730) 4.342 6.480 ( 3.702 0.000 -4.701) 5.984 6.531 ( -1.732 0.000 -3.103) 3.554 6.737 ( -2.515 0.000 -4.516) 5.169 6.853 ( 1.155 0.000 5.147) 5.275 6.923 ( 1.168 0.000 2.622) 2.871 7.046 ( -0.312 0.000 -2.358) 2.379 7.081 ( -3.892 0.000 4.816) 6.192 7.235 ( 0.153 0.000 -4.725) 4.728 7.404 ( -0.977 0.000 0.374) 1.046 7.510 ( -6.364 0.000 2.652) 6.895 7.837 ( 5.670 0.000 -2.257) 6.103 7.842 ( 1.068 0.000 3.108) 3.286 7.969 ( 0.311 0.000 -4.068) 4.080 8.188 ( -0.832 0.000 1.144) 1.415 8.264 ( 1.309 0.000 0.464) 1.389 8.277 ( 1.567 0.000 -0.201) 1.580 8.339 ( -1.224 0.000 0.533) 1.335 8.492 ( 0.631 0.000 -1.398) 1.534 8.664 ( -0.952 0.000 -2.460) 2.638 8.719 ( -1.572 0.000 -0.894) 1.809 8.818 ( 0.419 0.000 -0.039) 0.421 8.884 ( -0.139 0.000 -1.450) 1.457 8.971 ( 2.019 0.000 1.782) 2.693 8.974 ( 1.294 0.000 -3.359) 3.600 9.227 ( 2.616 0.000 -1.639) 3.087 9.457 ( -1.500 0.000 3.251) 3.580 9.699 ( 0.365 0.000 3.508) 3.527 9.833 ( 3.218 0.000 -1.963) 3.770 9.895 ( 3.001 0.000 -0.130) 3.004 ======================= Grid point 57 (33/74) ======================= q-point: (-0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( -8.616 0.000 5.778) 10.375 0.587 ( -8.258 0.000 7.725) 11.308 0.766 ( -10.958 0.000 -1.462) 11.056 0.827 ( -1.496 0.000 1.370) 2.028 0.860 ( -1.561 0.000 1.111) 1.916 0.981 ( -2.775 0.000 0.847) 2.901 1.019 ( -1.246 0.000 -0.692) 1.426 1.040 ( -1.302 0.000 5.456) 5.610 1.089 ( -2.598 0.000 -5.322) 5.922 1.127 ( -0.564 0.000 5.124) 5.155 1.183 ( 4.013 0.000 -0.248) 4.021 1.205 ( -11.648 0.000 -0.660) 11.667 1.334 ( -0.623 0.000 2.948) 3.013 1.397 ( -3.648 0.000 0.076) 3.648 1.441 ( 0.025 0.000 2.918) 2.918 1.498 ( 3.007 0.000 3.678) 4.751 1.527 ( 1.221 0.000 -3.834) 4.024 1.655 ( 0.516 0.000 -1.866) 1.936 1.665 ( 2.111 0.000 2.484) 3.259 1.783 ( 4.596 0.000 -1.136) 4.735 1.803 ( 3.080 0.000 3.154) 4.408 1.859 ( 6.378 0.000 -1.795) 6.625 1.861 ( 1.961 0.000 1.895) 2.727 1.935 ( -3.252 0.000 -3.336) 4.659 1.966 ( -1.439 0.000 1.724) 2.246 1.976 ( 1.484 0.000 -5.586) 5.780 2.083 ( -0.835 0.000 0.853) 1.193 2.147 ( -0.036 0.000 0.424) 0.426 2.175 ( -1.866 0.000 1.436) 2.355 2.282 ( -0.148 0.000 -2.264) 2.269 2.317 ( 0.837 0.000 -0.584) 1.021 2.419 ( 2.582 0.000 -4.334) 5.045 2.519 ( 4.600 0.000 -5.396) 7.090 2.594 ( 2.448 0.000 3.613) 4.365 2.735 ( -2.624 0.000 3.730) 4.561 2.883 ( -1.682 0.000 3.646) 4.015 2.933 ( -5.099 0.000 -1.084) 5.212 2.974 ( -3.004 0.000 3.213) 4.399 3.123 ( -0.207 0.000 4.300) 4.305 3.132 ( 1.947 0.000 0.797) 2.103 3.295 ( -5.583 0.000 3.719) 6.708 3.313 ( 0.838 0.000 -1.328) 1.570 3.420 ( 0.580 0.000 -1.231) 1.361 3.454 ( 0.160 0.000 5.297) 5.300 3.607 ( -1.333 0.000 4.564) 4.755 3.680 ( -4.959 0.000 -3.238) 5.923 3.700 ( -0.585 0.000 6.389) 6.416 3.976 ( -0.561 0.000 -0.166) 0.585 5.669 ( 2.883 0.000 0.907) 3.022 5.752 ( 1.730 0.000 -3.556) 3.954 5.756 ( 3.157 0.000 -1.010) 3.315 5.993 ( -4.617 0.000 1.222) 4.776 6.108 ( 6.183 0.000 -0.637) 6.216 6.167 ( 0.924 0.000 1.571) 1.823 6.258 ( 3.359 0.000 -4.542) 5.649 6.414 ( -2.200 0.000 -7.245) 7.571 6.587 ( 4.184 0.000 1.370) 4.403 6.640 ( -2.165 0.000 -3.909) 4.468 6.869 ( -6.125 0.000 0.693) 6.164 6.882 ( -1.789 0.000 -2.447) 3.031 7.022 ( -0.539 0.000 1.118) 1.241 7.096 ( 2.310 0.000 1.087) 2.553 7.262 ( 4.263 0.000 -1.184) 4.424 7.363 ( -2.752 0.000 -0.002) 2.752 7.469 ( -0.834 0.000 4.104) 4.188 7.848 ( -3.315 0.000 2.774) 4.322 7.873 ( 0.657 0.000 -6.699) 6.731 7.929 ( -0.141 0.000 -1.926) 1.932 8.188 ( -0.038 0.000 1.357) 1.358 8.280 ( -0.809 0.000 -1.065) 1.338 8.306 ( 2.497 0.000 1.168) 2.756 8.319 ( -1.060 0.000 -0.034) 1.060 8.525 ( 3.271 0.000 -0.848) 3.379 8.622 ( -0.691 0.000 -2.584) 2.675 8.672 ( -1.558 0.000 -1.078) 1.895 8.779 ( -3.018 0.000 -2.658) 4.021 8.878 ( 0.467 0.000 -0.885) 1.001 9.015 ( 4.945 0.000 -0.846) 5.017 9.031 ( 2.358 0.000 1.382) 2.733 9.276 ( 3.358 0.000 -0.688) 3.427 9.451 ( -2.271 0.000 3.057) 3.808 9.729 ( 0.232 0.000 1.582) 1.599 9.875 ( 3.566 0.000 -2.998) 4.659 9.927 ( 0.754 0.000 -0.970) 1.228 ======================= Grid point 58 (34/74) ======================= q-point: (-0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( -2.719 0.000 11.187) 11.512 0.501 ( -5.559 0.000 7.097) 9.015 0.582 ( -5.915 0.000 8.455) 10.319 0.826 ( -0.574 0.000 2.842) 2.899 0.834 ( -2.432 0.000 -1.831) 3.044 0.949 ( -1.977 0.000 1.630) 2.562 0.989 ( -1.872 0.000 2.539) 3.154 1.000 ( -9.812 0.000 12.421) 15.829 1.024 ( -0.599 0.000 -0.984) 1.152 1.144 ( 2.139 0.000 6.361) 6.711 1.200 ( 2.753 0.000 2.093) 3.458 1.247 ( 0.569 0.000 2.264) 2.335 1.339 ( -1.950 0.000 5.161) 5.517 1.353 ( -1.477 0.000 1.759) 2.297 1.455 ( -0.114 0.000 0.411) 0.426 1.524 ( 2.229 0.000 -3.698) 4.318 1.544 ( 0.175 0.000 2.603) 2.609 1.645 ( 0.283 0.000 -1.382) 1.410 1.725 ( 1.993 0.000 1.300) 2.380 1.810 ( -2.888 0.000 -1.628) 3.315 1.839 ( 3.998 0.000 -3.941) 5.614 1.890 ( 0.279 0.000 1.227) 1.258 1.930 ( -0.168 0.000 -2.780) 2.785 1.952 ( 0.233 0.000 3.287) 3.296 1.986 ( 3.059 0.000 1.153) 3.269 1.990 ( 5.347 0.000 -4.264) 6.839 2.095 ( 0.617 0.000 2.445) 2.522 2.164 ( 2.449 0.000 -0.312) 2.468 2.169 ( -0.069 0.000 2.866) 2.867 2.265 ( -0.469 0.000 -0.402) 0.618 2.330 ( 0.958 0.000 -0.233) 0.986 2.428 ( 2.961 0.000 -4.573) 5.448 2.544 ( 2.522 0.000 -5.136) 5.721 2.643 ( -0.552 0.000 2.981) 3.031 2.700 ( -3.030 0.000 1.258) 3.280 2.817 ( -3.534 0.000 -1.785) 3.960 2.868 ( -2.354 0.000 -0.423) 2.392 2.936 ( -3.304 0.000 4.262) 5.393 3.143 ( -2.523 0.000 2.435) 3.506 3.179 ( 1.887 0.000 -0.524) 1.959 3.209 ( -5.967 0.000 2.668) 6.536 3.287 ( -2.604 0.000 -2.094) 3.341 3.379 ( -1.682 0.000 -3.325) 3.726 3.497 ( -3.354 0.000 0.459) 3.385 3.614 ( 2.385 0.000 2.221) 3.260 3.627 ( -0.889 0.000 4.679) 4.763 3.747 ( -0.894 0.000 6.727) 6.786 3.959 ( -0.371 0.000 -0.194) 0.419 5.730 ( 0.660 0.000 -0.267) 0.712 5.772 ( 0.940 0.000 -1.142) 1.479 5.870 ( 10.260 0.000 1.423) 10.358 5.951 ( 0.295 0.000 2.033) 2.055 6.114 ( -5.242 0.000 1.188) 5.375 6.179 ( -0.855 0.000 -0.778) 1.156 6.273 ( -5.907 0.000 -3.949) 7.105 6.287 ( 4.532 0.000 -4.911) 6.683 6.599 ( -5.445 0.000 0.608) 5.479 6.636 ( 5.128 0.000 -3.418) 6.163 6.730 ( -5.446 0.000 6.705) 8.638 6.866 ( 2.344 0.000 -2.778) 3.635 7.067 ( 1.845 0.000 -1.314) 2.265 7.116 ( -0.516 0.000 0.322) 0.608 7.325 ( -0.827 0.000 0.342) 0.895 7.348 ( 6.141 0.000 -1.975) 6.451 7.529 ( 1.824 0.000 4.640) 4.986 7.774 ( -6.578 0.000 1.967) 6.866 7.785 ( -0.416 0.000 -8.714) 8.724 7.890 ( -2.200 0.000 -3.890) 4.470 8.180 ( -2.040 0.000 -1.324) 2.432 8.260 ( 0.326 0.000 0.196) 0.381 8.313 ( 0.256 0.000 1.996) 2.012 8.384 ( 3.593 0.000 2.818) 4.566 8.582 ( 3.290 0.000 -0.358) 3.310 8.600 ( -0.454 0.000 -1.104) 1.194 8.661 ( 0.361 0.000 1.271) 1.321 8.673 ( -4.306 0.000 -3.366) 5.466 8.879 ( 0.376 0.000 -0.820) 0.902 9.075 ( 1.275 0.000 0.411) 1.340 9.136 ( 7.911 0.000 -0.992) 7.973 9.320 ( 1.704 0.000 -1.206) 2.087 9.428 ( -2.826 0.000 2.996) 4.118 9.729 ( -0.861 0.000 -0.403) 0.951 9.891 ( 0.306 0.000 -4.666) 4.676 9.925 ( 1.986 0.000 -1.885) 2.738 ======================= Grid point 59 (35/74) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( -0.519 4.117 8.893) 9.813 0.610 ( 3.922 2.351 7.950) 9.171 0.695 ( -0.472 -1.159 10.714) 10.787 0.766 ( -1.202 -3.211 5.077) 6.126 0.860 ( -1.920 0.720 1.078) 2.317 0.880 ( 2.029 -0.049 1.096) 2.306 0.951 ( -1.935 0.126 3.333) 3.856 0.975 ( -1.542 -1.226 2.600) 3.262 1.110 ( 1.087 4.463 1.947) 4.989 1.196 ( 2.203 -2.930 0.491) 3.698 1.262 ( -0.333 1.160 0.388) 1.268 1.309 ( -2.164 -2.324 2.932) 4.322 1.416 ( -0.342 1.338 2.884) 3.198 1.428 ( -0.053 0.892 -0.442) 0.997 1.464 ( 0.423 8.542 7.131) 11.136 1.567 ( 5.353 -0.735 2.133) 5.809 1.605 ( 4.203 0.965 4.553) 6.271 1.655 ( 2.918 -2.040 2.381) 4.283 1.741 ( -1.877 0.938 -1.461) 2.557 1.777 ( -2.644 0.159 -1.523) 3.056 1.843 ( -0.817 2.211 -1.385) 2.734 1.908 ( 3.954 0.330 -1.009) 4.094 1.924 ( -1.488 -0.219 1.085) 1.855 1.945 ( 0.119 -0.181 1.899) 1.911 1.981 ( 2.117 -1.730 -4.580) 5.334 2.016 ( 0.368 -2.467 0.818) 2.625 2.117 ( 0.232 -0.511 1.733) 1.821 2.144 ( 0.707 -3.398 0.906) 3.587 2.263 ( 0.884 2.091 0.043) 2.270 2.304 ( 0.876 4.827 -0.044) 4.906 2.322 ( 0.754 -2.496 0.923) 2.766 2.406 ( 2.314 -3.100 -1.678) 4.217 2.496 ( 1.263 0.576 -1.405) 1.975 2.577 ( 0.371 -5.749 2.274) 6.194 2.722 ( -2.423 2.581 0.128) 3.542 2.741 ( 0.392 -0.296 -0.937) 1.058 2.840 ( -3.037 1.341 -1.402) 3.604 2.904 ( -3.723 -3.670 1.287) 5.384 2.995 ( -5.205 -0.643 0.360) 5.257 3.041 ( -5.041 -2.760 1.794) 6.021 3.201 ( -3.670 2.836 -3.438) 5.773 3.272 ( -2.772 -3.021 -2.983) 5.070 3.347 ( -0.391 5.258 0.810) 5.334 3.418 ( -0.860 -1.653 -0.294) 1.886 3.704 ( -1.211 3.339 4.499) 5.732 3.749 ( 0.086 -0.435 4.541) 4.563 3.801 ( 2.040 4.076 3.277) 5.613 3.914 ( 1.344 -4.478 0.420) 4.694 5.717 ( -2.834 1.577 -0.749) 3.329 5.742 ( -1.901 -0.348 -1.160) 2.254 5.923 ( -3.008 1.343 -0.012) 3.294 5.955 ( 0.904 -1.137 -1.527) 2.107 6.153 ( 1.133 3.054 1.614) 3.635 6.204 ( 7.873 -2.192 0.390) 8.182 6.279 ( -0.124 -0.810 -2.586) 2.713 6.311 ( 3.242 -2.515 -0.710) 4.164 6.526 ( 1.182 3.847 4.570) 6.089 6.664 ( 0.499 -6.376 7.298) 9.704 6.804 ( 3.308 4.930 -0.948) 6.012 6.881 ( 1.617 -1.581 -1.362) 2.640 7.022 ( -2.678 1.913 -2.642) 4.221 7.075 ( -0.869 -1.839 -2.034) 2.876 7.385 ( 2.610 2.291 0.440) 3.500 7.427 ( 3.327 -1.092 -1.061) 3.659 7.579 ( -4.489 2.947 1.814) 5.668 7.654 ( -2.374 -3.189 2.577) 4.737 7.749 ( 0.695 1.040 -7.200) 7.308 7.778 ( -0.073 -1.279 -7.516) 7.625 8.144 ( -1.608 1.985 -1.072) 2.770 8.209 ( -0.611 -3.799 -0.021) 3.847 8.380 ( 0.064 1.863 5.496) 5.804 8.453 ( -2.860 -4.449 5.427) 7.578 8.525 ( 3.042 2.449 -2.327) 4.546 8.571 ( 1.941 -1.897 -2.064) 3.410 8.724 ( 2.161 4.619 -1.856) 5.427 8.787 ( 4.286 1.965 -0.228) 4.721 8.861 ( -1.279 1.041 1.091) 1.977 8.976 ( 0.521 -6.542 0.735) 6.604 9.259 ( -0.242 1.467 -1.471) 2.091 9.289 ( -1.170 -1.289 -1.653) 2.401 9.527 ( -1.465 6.898 -1.575) 7.226 9.646 ( -2.404 -3.838 -2.468) 5.157 9.867 ( 0.044 2.439 -3.851) 4.559 9.916 ( 1.309 -1.693 -4.506) 4.989 ======================= Grid point 60 (36/74) ======================= q-point: ( 0.12 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 0.847 2.846 6.761) 7.384 0.695 ( -0.350 1.513 4.269) 4.542 0.743 ( -1.294 -1.918 4.973) 5.485 0.779 ( -0.779 2.346 1.692) 2.995 0.830 ( -2.554 -1.480 2.712) 4.008 0.903 ( -1.049 -2.365 0.762) 2.697 0.977 ( -0.625 1.237 2.161) 2.567 1.001 ( 1.136 -1.042 4.019) 4.304 1.188 ( 2.896 3.994 5.056) 7.064 1.260 ( 1.510 0.486 0.192) 1.598 1.274 ( 2.689 -2.653 0.763) 3.853 1.307 ( 1.081 -3.754 1.520) 4.192 1.390 ( -1.938 0.482 -1.014) 2.239 1.408 ( -1.788 -0.479 0.030) 1.851 1.524 ( -0.211 9.003 3.323) 9.598 1.611 ( -0.608 0.199 -1.104) 1.276 1.663 ( -1.334 -0.247 0.031) 1.357 1.679 ( -0.409 -0.938 0.264) 1.057 1.729 ( 0.727 1.004 1.319) 1.810 1.778 ( 0.755 -1.304 -1.344) 2.019 1.841 ( 1.426 2.595 0.145) 2.964 1.907 ( -0.099 1.661 1.358) 2.148 1.954 ( 0.783 -1.046 0.622) 1.447 1.983 ( 1.322 -4.716 -2.001) 5.290 2.032 ( 3.318 1.795 1.214) 3.963 2.048 ( 3.528 0.842 1.809) 4.053 2.154 ( 1.091 -0.787 2.402) 2.753 2.173 ( 0.759 -2.972 2.941) 4.249 2.291 ( 2.714 0.456 0.344) 2.774 2.305 ( 0.358 3.051 -1.641) 3.483 2.339 ( -0.174 0.060 -0.175) 0.254 2.425 ( 0.356 -3.757 -0.696) 3.838 2.513 ( 0.778 1.993 1.575) 2.657 2.585 ( -1.605 -3.949 2.903) 5.157 2.656 ( -3.010 2.032 -1.077) 3.788 2.733 ( -1.199 -1.489 -0.338) 1.941 2.761 ( -0.047 3.890 -1.285) 4.097 2.873 ( -2.348 0.703 0.280) 2.467 2.960 ( 1.691 -6.388 0.868) 6.664 2.975 ( -3.696 -3.499 0.621) 5.127 3.134 ( -1.357 3.713 0.780) 4.029 3.202 ( -1.765 -1.976 -0.737) 2.750 3.355 ( 0.332 3.787 -0.060) 3.802 3.407 ( -0.185 -1.430 -0.698) 1.602 3.705 ( -2.706 3.796 3.596) 5.888 3.765 ( -2.570 -1.773 3.630) 4.788 3.859 ( 1.184 2.894 1.829) 3.622 3.930 ( -0.101 -2.828 0.228) 2.839 5.650 ( -2.492 1.076 -1.107) 2.931 5.685 ( -2.839 -1.933 -0.534) 3.476 5.882 ( -0.110 4.585 -1.102) 4.716 5.916 ( -1.576 1.457 -1.874) 2.849 6.194 ( -1.101 -0.562 0.367) 1.290 6.280 ( 2.001 -6.778 -1.949) 7.331 6.342 ( 7.441 1.626 -1.449) 7.753 6.426 ( 5.824 -3.538 1.578) 6.994 6.633 ( 4.727 4.634 4.406) 7.952 6.764 ( 1.914 -5.186 6.440) 8.488 6.797 ( -1.608 3.078 0.755) 3.554 6.856 ( -2.545 -1.488 -1.950) 3.535 6.939 ( -2.537 6.242 -3.546) 7.614 7.059 ( 1.383 -3.582 -2.024) 4.340 7.376 ( -5.028 1.862 -0.566) 5.391 7.420 ( -2.279 -1.965 -0.182) 3.015 7.540 ( 1.428 4.280 0.183) 4.516 7.627 ( 0.181 -2.756 -2.407) 3.663 7.724 ( 1.563 1.796 -2.634) 3.550 7.782 ( 5.847 -2.502 -7.349) 9.719 8.123 ( -0.152 1.613 0.579) 1.720 8.187 ( -1.512 -3.847 0.193) 4.138 8.398 ( -2.463 1.917 2.442) 3.963 8.440 ( -2.397 -1.787 3.612) 4.689 8.591 ( 4.220 -0.210 -0.534) 4.259 8.594 ( 2.111 -0.650 -1.222) 2.524 8.738 ( 1.216 5.003 -1.531) 5.371 8.840 ( -0.252 -3.182 -0.345) 3.210 8.871 ( 1.743 3.943 2.317) 4.895 8.971 ( -1.656 -3.968 -0.006) 4.300 9.225 ( -1.695 0.372 -0.977) 1.991 9.245 ( -1.573 -1.375 -1.954) 2.860 9.494 ( -1.379 3.874 1.328) 4.321 9.577 ( -2.844 -3.422 -0.826) 4.525 9.826 ( -0.355 3.193 -4.538) 5.561 9.879 ( -0.284 -1.520 -5.025) 5.258 ======================= Grid point 61 (37/74) ======================= q-point: ( 0.25 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -1.040 1.890 4.726) 5.195 0.692 ( -3.405 2.700 3.262) 5.433 0.758 ( -0.342 1.878 2.439) 3.097 0.784 ( 0.868 -1.820 1.260) 2.378 0.842 ( 1.238 -0.239 1.835) 2.227 0.892 ( -0.906 -1.205 1.751) 2.310 0.983 ( 0.497 2.200 0.267) 2.272 1.025 ( -0.353 -1.354 1.043) 1.745 1.244 ( -0.342 1.577 0.019) 1.614 1.284 ( -2.704 -1.295 -2.203) 3.720 1.291 ( 0.720 0.052 0.006) 0.722 1.325 ( 2.540 -2.891 -0.573) 3.891 1.375 ( 0.237 2.062 2.768) 3.460 1.414 ( 1.024 -0.490 1.954) 2.260 1.536 ( 0.644 3.659 0.439) 3.741 1.589 ( -0.251 -0.753 0.109) 0.801 1.628 ( -4.531 1.558 -2.252) 5.295 1.656 ( -0.251 -0.218 -1.417) 1.455 1.719 ( -2.561 -1.242 1.492) 3.213 1.781 ( 0.435 -4.901 -0.439) 4.940 1.861 ( 1.650 2.731 0.374) 3.213 1.937 ( 0.027 0.934 2.169) 2.362 1.958 ( 1.548 -1.758 -3.215) 3.978 1.999 ( 1.086 -0.806 0.550) 1.460 2.052 ( 0.454 1.719 -0.934) 2.008 2.095 ( 0.846 -1.175 -1.538) 2.112 2.176 ( -0.623 0.824 1.577) 1.886 2.215 ( 0.373 -1.248 2.299) 2.642 2.268 ( -3.347 4.014 -1.569) 5.457 2.293 ( -0.264 2.766 -1.527) 3.170 2.337 ( 0.910 -1.666 -3.985) 4.414 2.407 ( -0.954 -5.068 -0.582) 5.190 2.534 ( -0.532 0.808 -0.747) 1.222 2.554 ( -1.997 -0.962 0.840) 2.371 2.716 ( 1.813 4.182 2.162) 5.045 2.749 ( 1.626 -0.850 3.998) 4.399 2.826 ( 1.092 2.181 -0.587) 2.509 2.836 ( 3.564 1.355 4.331) 5.770 2.930 ( 1.363 -2.133 2.022) 3.240 3.009 ( 0.379 -5.688 3.247) 6.560 3.172 ( 2.936 1.067 3.297) 4.542 3.207 ( 1.180 -1.314 2.843) 3.346 3.355 ( 0.125 2.086 -0.709) 2.207 3.393 ( -0.715 -1.967 -0.756) 2.225 3.668 ( -4.208 3.562 2.945) 6.251 3.723 ( -4.361 -1.492 2.258) 5.133 3.869 ( -1.153 2.023 0.656) 2.419 3.919 ( -1.337 -2.097 0.609) 2.560 5.618 ( -0.089 0.063 -0.569) 0.580 5.641 ( -1.140 -2.262 -0.570) 2.596 5.855 ( -1.649 4.805 -1.862) 5.411 5.904 ( 1.144 0.708 -0.651) 1.495 6.159 ( -1.675 3.499 0.022) 3.879 6.305 ( 1.549 -7.920 -0.781) 8.108 6.411 ( -0.030 1.798 -1.449) 2.309 6.470 ( -1.389 -3.003 -0.192) 3.314 6.683 ( -1.362 2.554 -2.479) 3.811 6.749 ( -1.353 -3.199 -0.974) 3.608 6.807 ( -0.002 5.783 -1.931) 6.097 6.885 ( 0.896 -3.149 5.900) 6.747 6.909 ( 2.648 5.207 -0.110) 5.842 7.068 ( 2.493 -6.895 -2.543) 7.761 7.294 ( -2.189 3.682 1.250) 4.462 7.384 ( -1.226 -3.761 0.965) 4.071 7.581 ( 2.868 3.649 -1.384) 4.843 7.648 ( 5.027 0.407 -4.515) 6.769 7.731 ( 0.581 1.908 -0.549) 2.068 7.826 ( 4.645 -3.974 -5.334) 8.113 8.146 ( 0.883 0.623 1.558) 1.896 8.170 ( -0.053 -1.636 0.802) 1.823 8.354 ( -3.552 3.342 1.217) 5.026 8.417 ( -2.885 -2.279 2.086) 4.227 8.622 ( 1.919 1.353 -0.964) 2.539 8.653 ( 2.837 -0.973 -0.380) 3.023 8.743 ( 0.522 3.224 -1.327) 3.525 8.824 ( -1.462 -3.220 0.334) 3.552 8.879 ( -2.923 1.953 0.646) 3.574 8.936 ( -1.199 -2.585 0.351) 2.871 9.186 ( -1.575 0.166 -2.391) 2.868 9.199 ( -0.762 -0.908 -1.563) 1.961 9.501 ( -0.817 1.670 3.383) 3.861 9.544 ( -0.908 -2.068 2.112) 3.092 9.781 ( -0.005 2.917 -3.756) 4.756 9.829 ( -0.352 -1.272 -3.963) 4.177 ======================= Grid point 62 (38/74) ======================= q-point: ( 0.38 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( -3.185 7.110 2.068) 8.061 0.688 ( -2.182 0.472 3.111) 3.829 0.767 ( -0.277 1.986 2.569) 3.259 0.832 ( 1.574 -2.574 0.590) 3.074 0.896 ( 2.579 2.025 1.654) 3.673 0.914 ( 2.342 1.110 1.923) 3.227 1.007 ( 2.034 1.849 -1.449) 3.107 1.033 ( 0.989 -1.682 0.533) 2.023 1.184 ( -4.196 -0.046 -2.021) 4.657 1.214 ( -0.589 -1.481 -2.238) 2.747 1.305 ( 0.416 1.258 -1.834) 2.263 1.369 ( -2.642 -0.228 0.552) 2.709 1.377 ( -0.101 2.358 0.207) 2.369 1.448 ( 2.155 -0.521 2.440) 3.296 1.514 ( -2.503 1.487 -2.419) 3.785 1.555 ( 0.569 2.440 -0.961) 2.684 1.568 ( -3.112 -2.300 -2.912) 4.843 1.625 ( -0.096 -2.815 -0.872) 2.949 1.695 ( -0.166 -0.531 -0.247) 0.609 1.777 ( -1.099 -5.808 1.280) 6.048 1.901 ( 0.792 1.400 1.179) 1.994 1.923 ( -2.018 0.204 2.019) 2.862 1.975 ( 2.197 2.985 -3.061) 4.807 2.018 ( 0.740 -1.600 -0.128) 1.767 2.051 ( -0.061 0.891 -0.898) 1.267 2.099 ( 0.878 -2.726 -0.757) 2.962 2.153 ( -2.208 -0.079 0.402) 2.246 2.188 ( -2.037 -1.094 -0.918) 2.488 2.241 ( -0.752 2.233 0.179) 2.363 2.286 ( -0.224 1.085 -0.471) 1.204 2.308 ( 0.126 0.049 -3.125) 3.128 2.378 ( -1.574 -3.654 -1.010) 4.105 2.491 ( -0.594 -0.804 -5.765) 5.851 2.498 ( -3.017 -1.445 -3.186) 4.619 2.703 ( -0.588 4.162 -1.144) 4.356 2.749 ( -0.718 -0.116 -0.181) 0.750 2.836 ( 0.343 5.751 3.502) 6.742 2.935 ( -2.250 -3.152 5.376) 6.625 3.069 ( 5.378 1.598 6.128) 8.308 3.134 ( 6.473 -3.254 8.154) 10.907 3.244 ( 1.299 1.553 3.593) 4.124 3.293 ( 3.007 -2.537 3.701) 5.401 3.355 ( 0.796 0.329 -0.023) 0.862 3.371 ( -0.903 -2.136 0.112) 2.322 3.613 ( -3.930 3.694 2.647) 6.008 3.664 ( -3.786 -1.158 2.751) 4.821 3.848 ( -1.135 1.825 0.868) 2.318 3.896 ( -1.547 -2.137 0.628) 2.712 5.632 ( 1.032 -0.602 0.850) 1.467 5.637 ( 1.271 -1.329 -0.333) 1.869 5.810 ( -0.663 5.035 -2.581) 5.697 5.902 ( -0.154 -3.526 -1.691) 3.914 6.152 ( 0.336 7.405 -0.324) 7.420 6.271 ( -4.815 -1.799 -0.921) 5.222 6.357 ( -2.164 -0.713 -3.155) 3.891 6.427 ( -1.560 -3.903 -0.151) 4.206 6.612 ( -1.832 0.948 -2.970) 3.616 6.685 ( -2.533 -5.078 -2.853) 6.351 6.819 ( 1.920 5.256 -1.241) 5.732 6.905 ( -0.655 -0.367 1.430) 1.615 6.988 ( 2.728 2.810 3.416) 5.197 7.124 ( 3.751 -6.751 -1.436) 7.856 7.308 ( 1.329 3.403 1.511) 3.953 7.375 ( -0.777 -2.415 -0.973) 2.717 7.627 ( 2.957 3.412 -0.530) 4.546 7.709 ( 3.624 -1.106 -1.534) 4.088 7.741 ( 1.755 3.524 -1.398) 4.178 7.863 ( 3.974 -5.072 -3.785) 7.473 8.164 ( 0.616 2.497 0.936) 2.737 8.209 ( 1.833 -1.587 1.374) 2.787 8.299 ( -3.194 3.176 1.331) 4.697 8.372 ( -3.503 -2.982 1.898) 4.977 8.640 ( 0.616 2.914 -2.087) 3.636 8.698 ( 1.938 -1.704 -1.097) 2.804 8.730 ( -0.156 1.830 -0.596) 1.931 8.772 ( -2.670 -0.378 -0.315) 2.715 8.848 ( -0.903 0.153 1.576) 1.823 8.912 ( -1.571 -4.279 -0.532) 4.589 9.135 ( -0.910 2.040 -2.980) 3.725 9.181 ( 0.103 -2.066 -1.632) 2.635 9.508 ( -1.628 2.908 3.416) 4.772 9.571 ( -0.038 -2.543 4.095) 4.821 9.773 ( 1.936 2.060 -1.744) 3.322 9.807 ( 1.225 -0.890 -2.337) 2.785 ======================= Grid point 63 (39/74) ======================= q-point: (-0.50 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( -0.574 4.283 4.297) 6.095 0.681 ( -1.002 -0.860 2.950) 3.232 0.765 ( -2.778 4.381 1.134) 5.310 0.842 ( -0.692 -1.113 0.675) 1.474 0.943 ( 0.596 1.810 1.109) 2.205 1.001 ( 0.674 -1.897 -0.558) 2.089 1.020 ( 2.622 1.655 1.417) 3.409 1.054 ( 0.431 -1.128 1.359) 1.818 1.114 ( -0.944 3.836 -1.602) 4.263 1.189 ( -2.033 -1.329 -1.043) 2.643 1.253 ( 0.471 -0.055 -3.090) 3.126 1.299 ( -2.355 -2.802 -2.813) 4.616 1.405 ( 1.944 5.310 2.017) 6.004 1.451 ( -3.425 3.550 -2.220) 5.409 1.495 ( 0.427 -1.484 -0.004) 1.544 1.514 ( -0.542 2.948 0.657) 3.069 1.566 ( 3.346 -3.201 -3.216) 5.638 1.602 ( -1.545 -2.798 -1.279) 3.442 1.700 ( 1.068 0.390 -2.202) 2.479 1.766 ( -1.640 -3.495 1.680) 4.210 1.885 ( -2.562 3.040 2.624) 4.763 1.921 ( -1.139 1.565 -2.747) 3.360 1.968 ( -1.155 4.578 -5.066) 6.925 1.996 ( -2.787 -0.582 -3.651) 4.630 2.011 ( -2.764 -5.352 1.730) 6.267 2.061 ( -0.750 -3.375 -5.644) 6.618 2.117 ( -2.294 -0.446 0.332) 2.361 2.146 ( -2.120 -2.186 -1.287) 3.306 2.235 ( -0.375 2.557 2.214) 3.403 2.277 ( 1.006 -0.963 -0.784) 1.598 2.287 ( 0.992 1.197 -1.433) 2.115 2.342 ( -0.166 -3.148 -1.466) 3.476 2.420 ( -1.338 -0.484 -2.423) 2.810 2.456 ( 2.184 -3.047 -5.123) 6.348 2.721 ( 1.216 3.614 3.435) 5.132 2.780 ( 2.103 -1.094 3.208) 3.989 2.869 ( -0.856 3.309 5.089) 6.130 2.917 ( -3.859 -1.567 5.273) 6.720 3.181 ( 1.996 2.400 3.028) 4.348 3.246 ( -1.175 0.938 2.104) 2.586 3.271 ( -0.516 -2.836 2.002) 3.509 3.326 ( -2.148 -2.906 2.686) 4.503 3.390 ( 2.186 0.912 2.023) 3.114 3.411 ( 1.637 -0.381 3.845) 4.196 3.585 ( -1.439 4.567 3.457) 5.906 3.643 ( -1.837 -1.089 4.241) 4.749 3.849 ( -0.321 0.892 0.447) 1.048 3.885 ( 0.230 -2.021 1.027) 2.279 5.658 ( 0.953 -0.421 -0.626) 1.215 5.663 ( 0.812 -0.640 0.653) 1.223 5.803 ( 2.661 4.328 -2.181) 5.529 5.898 ( 2.245 -4.637 -2.063) 5.550 6.101 ( -2.027 4.088 -6.518) 7.957 6.184 ( -2.388 -1.037 -1.733) 3.128 6.302 ( -1.197 4.701 -0.609) 4.889 6.401 ( 0.301 -3.302 -2.301) 4.036 6.577 ( -1.239 -1.020 -1.578) 2.251 6.644 ( 0.224 -6.875 -0.329) 6.886 6.854 ( 2.150 4.249 1.085) 4.884 6.916 ( 0.473 0.253 1.765) 1.845 7.053 ( 0.426 2.530 3.709) 4.510 7.129 ( -1.747 -1.920 -1.895) 3.214 7.321 ( -2.343 0.229 -3.315) 4.066 7.347 ( 1.651 -1.990 -0.307) 2.604 7.653 ( -1.908 3.986 1.826) 4.782 7.742 ( 0.435 -3.368 2.588) 4.269 7.793 ( 5.435 4.606 -3.390) 7.890 7.905 ( 3.545 -4.985 -3.255) 6.930 8.192 ( 1.115 2.277 1.248) 2.826 8.239 ( 0.443 -1.738 0.267) 1.814 8.273 ( -0.565 2.346 1.236) 2.711 8.333 ( -2.181 -2.638 1.760) 3.849 8.586 ( -2.697 3.788 -2.572) 5.314 8.668 ( -1.641 -3.060 -1.871) 3.945 8.764 ( 1.353 2.721 1.822) 3.543 8.783 ( 2.844 1.436 -0.438) 3.216 8.853 ( 0.460 -2.472 -1.073) 2.734 8.874 ( -1.071 -3.949 -0.698) 4.151 9.100 ( -0.062 3.997 -2.537) 4.734 9.174 ( 0.990 -2.787 -2.012) 3.577 9.508 ( -1.350 4.156 3.353) 5.508 9.603 ( -0.242 -3.996 3.850) 5.554 9.814 ( 3.033 1.490 -0.560) 3.425 9.834 ( 3.022 -0.342 -0.741) 3.130 ======================= Grid point 64 (40/74) ======================= q-point: (-0.38 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -2.903 2.915 4.918) 6.411 0.677 ( -5.629 3.914 0.669) 6.888 0.718 ( 0.645 -2.089 4.693) 5.177 0.821 ( -2.628 -4.031 0.389) 4.827 0.921 ( -4.011 -1.586 0.188) 4.317 0.944 ( -1.897 -1.000 2.114) 3.011 1.067 ( -0.652 0.835 -1.227) 1.621 1.081 ( -2.075 0.708 2.359) 3.221 1.126 ( -0.738 3.236 1.018) 3.472 1.144 ( 4.131 0.560 -1.779) 4.533 1.280 ( 0.204 -0.370 -2.588) 2.623 1.299 ( 1.724 -1.182 0.074) 2.092 1.346 ( 0.302 4.512 -3.921) 5.985 1.435 ( -3.823 -1.429 -1.880) 4.493 1.471 ( -0.857 2.689 1.417) 3.158 1.512 ( -3.104 3.460 0.493) 4.674 1.554 ( -0.110 -2.472 -1.617) 2.956 1.604 ( 0.077 -2.664 0.066) 2.666 1.676 ( 1.378 1.301 -4.295) 4.695 1.704 ( -3.025 -0.567 -3.008) 4.304 1.824 ( -1.141 2.600 -0.837) 2.961 1.850 ( -0.814 0.751 -3.728) 3.889 1.877 ( -1.868 3.959 1.760) 4.718 1.964 ( 0.433 -0.393 -2.466) 2.535 1.993 ( -1.340 -3.804 -0.374) 4.051 2.028 ( 0.970 -0.239 -3.419) 3.562 2.091 ( -1.307 -0.898 1.847) 2.434 2.104 ( -1.452 -1.537 0.123) 2.118 2.240 ( -1.215 2.676 1.323) 3.223 2.274 ( 0.444 -0.334 -0.579) 0.803 2.316 ( 0.094 -0.176 0.104) 0.225 2.363 ( 2.292 -5.391 -0.270) 5.865 2.410 ( 2.300 -0.282 -2.004) 3.064 2.465 ( 3.388 -3.503 -4.327) 6.517 2.775 ( -0.323 3.011 4.535) 5.453 2.845 ( -0.385 -3.523 3.525) 4.998 2.903 ( -0.589 1.194 5.956) 6.103 2.929 ( 0.897 -0.833 5.999) 6.123 3.191 ( -5.012 3.528 1.283) 6.262 3.207 ( -0.974 2.475 1.090) 2.874 3.269 ( -0.289 -2.624 0.144) 2.643 3.288 ( -4.344 -3.917 3.677) 6.909 3.429 ( 0.524 1.824 1.170) 2.229 3.452 ( -0.140 0.041 2.036) 2.041 3.623 ( 0.260 3.332 4.880) 5.915 3.661 ( -0.872 -0.509 4.943) 5.045 3.823 ( -1.840 3.327 -1.184) 3.982 3.914 ( 1.009 -3.929 0.590) 4.099 5.652 ( 0.424 0.511 -1.605) 1.737 5.676 ( 1.009 -1.725 -1.447) 2.467 5.839 ( 1.672 3.951 -2.400) 4.916 5.932 ( 1.017 -5.059 -0.756) 5.216 6.053 ( 4.544 4.757 -5.098) 8.322 6.163 ( 3.600 -3.464 -3.695) 6.214 6.300 ( 0.794 6.844 0.570) 6.914 6.417 ( 3.958 -4.601 -2.660) 6.626 6.527 ( -2.301 1.889 -1.814) 3.486 6.643 ( -1.624 -7.393 1.276) 7.677 6.876 ( -2.219 3.958 -0.334) 4.550 6.954 ( 0.361 -2.301 2.739) 3.596 7.048 ( -2.715 1.693 -1.674) 3.611 7.070 ( -2.516 -0.619 3.300) 4.196 7.265 ( 0.604 3.143 -3.128) 4.475 7.359 ( 0.349 -4.342 -0.987) 4.467 7.602 ( -4.846 7.413 3.247) 9.433 7.762 ( -1.543 -6.267 2.965) 7.102 7.863 ( 4.398 2.050 -2.349) 5.391 7.926 ( 1.775 -3.299 -3.268) 4.971 8.209 ( -0.432 1.619 0.707) 1.819 8.246 ( 0.020 -1.519 0.264) 1.541 8.293 ( 1.716 1.354 0.548) 2.253 8.323 ( -0.483 -1.189 0.968) 1.607 8.541 ( 0.047 3.955 -1.098) 4.104 8.631 ( -0.746 -3.482 -1.137) 3.738 8.769 ( -1.656 3.362 -2.124) 4.307 8.792 ( -0.689 0.282 -2.760) 2.859 8.849 ( 2.014 -1.581 -1.296) 2.870 8.897 ( 2.038 -4.140 0.781) 4.680 9.099 ( 2.068 5.624 -1.116) 6.096 9.191 ( 2.560 -3.015 -1.172) 4.125 9.521 ( -0.333 5.100 2.834) 5.844 9.637 ( 0.693 -4.830 2.763) 5.607 9.862 ( 2.701 1.743 -1.048) 3.381 9.889 ( 2.780 -0.687 -0.412) 2.893 ======================= Grid point 65 (41/74) ======================= q-point: (-0.25 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( -9.650 4.736 2.925) 11.141 0.616 ( -8.352 -0.607 2.252) 8.672 0.709 ( -6.332 -0.554 3.811) 7.411 0.799 ( -0.688 -5.432 4.512) 7.095 0.870 ( -1.719 3.145 -0.143) 3.586 0.952 ( 0.542 -3.800 1.714) 4.204 1.002 ( -4.569 0.698 -1.644) 4.906 1.030 ( -3.453 -2.012 -3.433) 5.269 1.109 ( -0.433 4.069 2.650) 4.875 1.155 ( -1.868 0.997 0.164) 2.124 1.238 ( -0.973 2.975 1.244) 3.368 1.271 ( -2.895 1.476 -2.155) 3.900 1.333 ( 0.630 1.569 0.993) 1.961 1.418 ( -0.158 -2.531 1.225) 2.816 1.435 ( -1.401 1.915 1.423) 2.767 1.478 ( -1.042 -0.745 1.198) 1.754 1.528 ( -0.638 1.921 -0.652) 2.126 1.603 ( -0.495 -2.961 0.937) 3.145 1.725 ( 4.743 1.422 1.075) 5.067 1.754 ( 5.355 -1.019 0.233) 5.456 1.825 ( -0.306 1.209 1.268) 1.778 1.850 ( 2.115 -0.399 1.179) 2.454 1.887 ( 2.334 2.584 -0.621) 3.537 1.935 ( -2.125 -0.900 -2.260) 3.230 1.967 ( 1.754 1.753 -3.027) 3.913 2.021 ( 0.617 0.340 -2.071) 2.187 2.088 ( -0.184 -1.042 1.027) 1.475 2.095 ( -0.397 0.286 1.035) 1.145 2.223 ( -1.432 2.327 1.042) 2.924 2.282 ( 0.367 -0.476 0.467) 0.761 2.314 ( 0.287 -0.031 -0.982) 1.024 2.375 ( 0.771 -5.145 -1.775) 5.497 2.449 ( 3.363 -1.187 -2.371) 4.283 2.504 ( 3.083 -5.472 -1.604) 6.482 2.778 ( -2.576 2.611 2.511) 4.445 2.836 ( -2.584 -2.666 2.682) 4.580 2.940 ( -1.784 0.487 3.076) 3.589 2.974 ( -2.660 -1.668 3.541) 4.732 3.137 ( -1.724 3.380 2.941) 4.801 3.186 ( -1.339 2.640 0.011) 2.960 3.235 ( -2.451 -2.391 1.713) 3.829 3.292 ( 0.936 -3.501 1.549) 3.941 3.439 ( -0.675 1.185 0.001) 1.363 3.455 ( -1.002 -0.148 2.860) 3.034 3.654 ( -1.160 2.810 4.561) 5.481 3.694 ( -0.896 -0.839 5.341) 5.480 3.763 ( -2.655 6.966 -1.975) 7.712 3.913 ( -0.881 -5.599 -0.808) 5.726 5.671 ( 2.679 0.401 0.240) 2.719 5.694 ( 2.588 -1.843 -0.794) 3.275 5.832 ( 1.374 3.250 -3.166) 4.741 5.907 ( -1.405 -4.344 -1.350) 4.761 6.148 ( 6.094 3.875 -1.778) 7.438 6.227 ( 5.087 -2.623 -3.751) 6.843 6.325 ( -0.088 8.866 1.843) 9.056 6.445 ( -1.388 1.852 -5.529) 5.994 6.501 ( 2.460 -4.052 1.149) 4.878 6.614 ( -2.495 -7.336 2.163) 8.045 6.775 ( -4.675 2.792 -2.896) 6.168 6.888 ( -4.426 -5.592 -4.438) 8.400 7.025 ( -0.679 2.928 2.958) 4.217 7.086 ( -0.168 -2.451 3.500) 4.276 7.285 ( 3.192 3.128 -1.986) 4.890 7.354 ( 0.421 -2.347 -1.179) 2.660 7.563 ( -2.327 7.745 4.080) 9.058 7.740 ( -3.250 -7.461 2.830) 8.616 7.893 ( 0.989 0.676 -4.533) 4.688 7.916 ( 0.440 -1.127 -2.720) 2.977 8.200 ( -0.759 1.110 0.293) 1.376 8.237 ( -0.917 -2.194 -0.566) 2.444 8.327 ( -0.026 1.194 1.353) 1.805 8.341 ( 2.045 0.713 2.216) 3.099 8.554 ( 1.359 2.250 -0.760) 2.736 8.605 ( -1.438 -1.636 -1.421) 2.601 8.715 ( -0.612 0.121 -2.401) 2.480 8.732 ( -0.604 0.608 -5.775) 5.838 8.871 ( 0.585 0.363 0.112) 0.698 8.936 ( 1.196 -4.048 0.538) 4.255 9.162 ( 4.866 5.733 -0.180) 7.522 9.246 ( 3.632 -2.457 -0.268) 4.393 9.542 ( 0.570 6.795 1.117) 6.910 9.676 ( 1.539 -4.665 0.648) 4.955 9.892 ( 1.993 1.232 -1.984) 3.070 9.917 ( 0.838 -0.914 -1.202) 1.727 ======================= Grid point 66 (42/74) ======================= q-point: (-0.12 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( -1.801 1.408 10.092) 10.348 0.496 ( -3.032 -1.420 6.371) 7.197 0.644 ( -6.231 5.714 9.499) 12.717 0.786 ( -4.898 -5.815 4.984) 9.091 0.854 ( -0.163 2.489 0.600) 2.566 0.906 ( -2.045 0.107 -2.488) 3.222 0.967 ( -1.396 -1.745 0.671) 2.333 0.983 ( -1.670 -1.704 3.107) 3.917 1.109 ( -2.011 3.555 0.706) 4.145 1.155 ( 2.014 -0.206 1.473) 2.503 1.269 ( 1.933 5.461 6.653) 8.822 1.275 ( -1.337 2.106 1.304) 2.815 1.344 ( 0.261 0.546 3.542) 3.593 1.415 ( -0.690 4.661 3.538) 5.892 1.439 ( -0.933 -3.678 1.846) 4.220 1.482 ( 1.697 -2.031 0.141) 2.650 1.530 ( 1.636 1.108 -0.637) 2.076 1.614 ( 0.745 -3.450 0.830) 3.625 1.769 ( -0.522 3.589 0.784) 3.711 1.826 ( 0.118 -0.342 0.594) 0.696 1.850 ( 1.245 -0.989 1.798) 2.400 1.872 ( -0.518 1.085 -3.324) 3.535 1.910 ( 2.174 -1.201 0.939) 2.655 1.931 ( 2.007 -0.963 -1.636) 2.762 1.990 ( 1.662 0.467 -0.904) 1.949 2.007 ( 0.440 -0.296 -2.727) 2.778 2.100 ( 0.406 0.658 1.558) 1.739 2.121 ( 1.122 -1.365 1.257) 2.169 2.223 ( 1.194 3.577 1.325) 3.996 2.292 ( -0.162 1.585 0.975) 1.868 2.312 ( 0.585 -1.439 -0.870) 1.780 2.381 ( 2.080 -3.471 -2.437) 4.724 2.482 ( 2.397 -1.553 -2.598) 3.861 2.542 ( 1.505 -7.028 0.907) 7.244 2.742 ( -1.880 2.128 0.426) 2.872 2.789 ( -3.623 -1.688 -0.036) 3.997 2.895 ( -3.545 1.963 1.531) 4.332 2.946 ( -3.387 -1.699 4.097) 5.580 3.095 ( -4.284 0.284 -0.753) 4.358 3.135 ( -4.490 -1.985 -0.146) 4.911 3.249 ( 1.636 2.567 -0.636) 3.109 3.311 ( -0.294 -1.677 -0.230) 1.718 3.392 ( -3.338 2.350 -0.886) 4.177 3.453 ( -2.559 -2.923 1.594) 4.200 3.676 ( -0.702 2.975 4.694) 5.602 3.710 ( -0.290 3.630 2.424) 4.375 3.744 ( 0.087 3.151 4.018) 5.107 3.893 ( 0.086 -5.846 -0.190) 5.850 5.732 ( 1.693 0.611 0.674) 1.921 5.756 ( 2.049 -1.225 0.165) 2.393 5.866 ( 5.508 0.592 -0.569) 5.569 5.902 ( 2.431 -2.956 0.647) 3.881 6.172 ( -2.785 4.060 -0.562) 4.955 6.246 ( -1.577 -0.024 -2.344) 2.826 6.312 ( -1.930 3.278 -4.939) 6.235 6.314 ( -3.756 2.806 -1.742) 5.001 6.511 ( -2.513 -1.816 2.651) 4.079 6.613 ( -1.081 -7.413 5.563) 9.331 6.732 ( 3.579 5.090 -2.353) 6.653 6.844 ( 2.964 -3.781 -2.380) 5.361 7.050 ( 1.254 0.644 -0.064) 1.411 7.097 ( -0.808 -2.485 0.599) 2.681 7.332 ( 2.845 2.061 -0.509) 3.550 7.367 ( 2.595 -0.336 -0.853) 2.753 7.582 ( -0.056 4.515 3.538) 5.737 7.698 ( -3.745 -5.309 2.396) 6.925 7.826 ( -1.614 2.345 -6.821) 7.391 7.872 ( -2.091 -1.616 -4.651) 5.349 8.185 ( -1.200 0.491 -0.751) 1.498 8.214 ( -0.391 -2.324 -0.334) 2.380 8.341 ( -0.836 3.253 3.913) 5.157 8.412 ( 1.896 -0.864 4.124) 4.620 8.549 ( -1.864 -1.537 -1.774) 2.997 8.560 ( 0.239 -1.452 -1.626) 2.193 8.693 ( 2.727 2.929 -3.563) 5.358 8.732 ( 2.379 1.617 -1.243) 3.134 8.873 ( -0.570 0.849 0.430) 1.110 8.956 ( 0.601 -5.492 0.782) 5.580 9.244 ( 3.499 3.727 -1.138) 5.237 9.298 ( 1.910 -1.677 -1.102) 2.770 9.554 ( 0.557 8.330 -1.685) 8.517 9.690 ( 0.194 -3.863 -1.899) 4.309 9.896 ( 0.359 0.554 -3.189) 3.256 9.914 ( 1.399 -0.893 -1.900) 2.522 ======================= Grid point 75 (43/74) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( -1.059 0.000 7.435) 7.510 0.719 ( -0.951 0.000 6.819) 6.885 0.767 ( -2.154 0.000 2.212) 3.088 0.872 ( -0.986 0.000 0.550) 1.129 0.883 ( 3.230 0.000 4.781) 5.770 0.939 ( -0.771 0.000 -0.965) 1.235 0.997 ( -1.022 0.000 2.860) 3.037 1.094 ( -1.869 0.000 5.463) 5.774 1.191 ( 3.528 0.000 5.091) 6.194 1.239 ( 1.312 0.000 3.533) 3.769 1.296 ( -0.313 0.000 2.995) 3.012 1.354 ( 0.405 0.000 -4.314) 4.333 1.419 ( -0.427 0.000 -0.561) 0.705 1.427 ( -4.105 0.000 2.798) 4.968 1.477 ( -1.986 0.000 5.499) 5.847 1.556 ( 2.950 0.000 -2.828) 4.087 1.667 ( -0.234 0.000 0.381) 0.447 1.691 ( 0.294 0.000 0.087) 0.307 1.700 ( 0.734 0.000 -3.459) 3.536 1.774 ( 0.382 0.000 1.799) 1.839 1.785 ( 2.927 0.000 4.112) 5.047 1.888 ( 1.718 0.000 -5.912) 6.157 1.939 ( 1.411 0.000 1.069) 1.770 1.948 ( 6.330 0.000 4.561) 7.802 2.004 ( -0.348 0.000 2.437) 2.461 2.075 ( -1.508 0.000 3.220) 3.556 2.158 ( 2.159 0.000 -4.718) 5.189 2.184 ( 0.138 0.000 2.566) 2.570 2.252 ( 0.005 0.000 -0.287) 0.287 2.280 ( 0.356 0.000 2.599) 2.624 2.338 ( 0.780 0.000 -3.066) 3.164 2.395 ( 4.374 0.000 -1.623) 4.666 2.496 ( 0.138 0.000 2.358) 2.362 2.649 ( -1.688 0.000 -0.420) 1.740 2.650 ( -1.899 0.000 -2.789) 3.374 2.787 ( -3.571 0.000 4.406) 5.671 2.792 ( 1.285 0.000 -1.232) 1.780 2.937 ( -7.636 0.000 1.015) 7.703 3.055 ( -3.373 0.000 -5.137) 6.146 3.143 ( -2.190 0.000 3.760) 4.351 3.156 ( -4.686 0.000 -2.792) 5.454 3.225 ( -2.663 0.000 3.168) 4.139 3.263 ( 1.024 0.000 -1.163) 1.550 3.394 ( 0.784 0.000 -2.359) 2.486 3.742 ( -1.807 0.000 4.689) 5.025 3.810 ( 3.172 0.000 3.528) 4.744 3.885 ( -2.089 0.000 3.796) 4.333 3.955 ( 0.799 0.000 -0.795) 1.127 5.666 ( -3.125 0.000 -1.294) 3.382 5.700 ( -0.676 0.000 -2.201) 2.302 5.874 ( -2.256 0.000 -0.936) 2.442 5.970 ( -5.317 0.000 -0.913) 5.394 6.122 ( 7.325 0.000 -1.541) 7.486 6.233 ( 5.081 0.000 -1.568) 5.318 6.338 ( 1.992 0.000 3.291) 3.847 6.349 ( 5.785 0.000 3.558) 6.792 6.590 ( -1.299 0.000 2.860) 3.141 6.687 ( 4.923 0.000 -1.359) 5.107 6.834 ( 2.567 0.000 -2.031) 3.274 6.892 ( -2.502 0.000 4.268) 4.948 6.939 ( -3.815 0.000 -1.006) 3.946 7.068 ( -3.863 0.000 -0.592) 3.908 7.367 ( 2.867 0.000 -0.483) 2.907 7.387 ( 4.811 0.000 -2.846) 5.590 7.554 ( -6.979 0.000 -0.611) 7.006 7.599 ( 6.118 0.000 -5.704) 8.364 7.687 ( -6.609 0.000 -3.023) 7.267 7.719 ( 1.368 0.000 -0.462) 1.444 8.135 ( -1.903 0.000 2.817) 3.400 8.285 ( -2.442 0.000 2.032) 3.177 8.405 ( -0.738 0.000 -2.907) 3.000 8.463 ( 7.056 0.000 1.411) 7.195 8.545 ( 0.675 0.000 -2.368) 2.462 8.609 ( 0.103 0.000 -0.915) 0.921 8.635 ( -2.893 0.000 3.785) 4.764 8.785 ( 5.366 0.000 1.186) 5.496 8.900 ( -0.807 0.000 4.125) 4.204 9.067 ( -2.675 0.000 0.156) 2.679 9.177 ( 3.868 0.000 -2.870) 4.816 9.252 ( -0.679 0.000 -3.943) 4.001 9.487 ( -0.670 0.000 3.717) 3.777 9.667 ( -2.221 0.000 -0.640) 2.312 9.734 ( -0.782 0.000 -5.176) 5.235 9.831 ( 0.446 0.000 -5.106) 5.125 ======================= Grid point 76 (44/74) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -3.438 0.000 2.637) 4.333 0.750 ( 0.750 0.000 4.956) 5.012 0.766 ( -1.994 0.000 5.498) 5.849 0.834 ( -3.325 0.000 0.183) 3.330 0.911 ( -0.899 0.000 -1.595) 1.831 0.926 ( 0.101 0.000 0.851) 0.857 0.995 ( -3.287 0.000 4.752) 5.778 1.105 ( -2.257 0.000 3.809) 4.427 1.262 ( 1.390 0.000 -0.404) 1.448 1.299 ( -0.368 0.000 -5.245) 5.258 1.318 ( 0.107 0.000 5.973) 5.973 1.354 ( 2.802 0.000 2.913) 4.042 1.382 ( -2.926 0.000 2.273) 3.705 1.424 ( 0.282 0.000 0.622) 0.683 1.488 ( -1.477 0.000 2.424) 2.838 1.574 ( 1.344 0.000 -1.896) 2.324 1.653 ( -1.633 0.000 -0.746) 1.795 1.680 ( 3.470 0.000 -2.347) 4.189 1.695 ( -0.827 0.000 0.239) 0.860 1.775 ( 0.406 0.000 2.704) 2.734 1.849 ( 1.764 0.000 -2.013) 2.676 1.866 ( 0.837 0.000 -2.768) 2.892 1.959 ( 0.201 0.000 0.154) 0.253 2.045 ( -0.943 0.000 1.885) 2.107 2.060 ( 0.311 0.000 -0.066) 0.318 2.068 ( -0.665 0.000 4.454) 4.503 2.146 ( 2.923 0.000 -7.599) 8.142 2.209 ( 0.282 0.000 2.415) 2.431 2.259 ( 0.566 0.000 -1.181) 1.310 2.279 ( -1.980 0.000 1.226) 2.329 2.284 ( -2.073 0.000 -4.410) 4.873 2.451 ( 2.434 0.000 -1.750) 2.998 2.547 ( -0.548 0.000 1.463) 1.562 2.617 ( -0.200 0.000 3.358) 3.364 2.638 ( -0.331 0.000 -0.599) 0.684 2.749 ( -0.347 0.000 -4.080) 4.095 2.796 ( -1.400 0.000 4.108) 4.340 2.863 ( 0.907 0.000 7.555) 7.610 3.017 ( -1.491 0.000 -1.083) 1.843 3.103 ( 4.040 0.000 -0.758) 4.111 3.145 ( -1.987 0.000 4.698) 5.101 3.223 ( -0.632 0.000 3.038) 3.103 3.285 ( 1.705 0.000 -0.581) 1.801 3.399 ( 1.486 0.000 -1.916) 2.425 3.738 ( -3.096 0.000 4.501) 5.463 3.853 ( -4.179 0.000 2.133) 4.691 3.863 ( 0.225 0.000 1.107) 1.130 3.961 ( 0.065 0.000 0.032) 0.072 5.614 ( -0.997 0.000 -0.495) 1.113 5.690 ( 0.491 0.000 -1.006) 1.119 5.813 ( -3.820 0.000 0.583) 3.864 5.873 ( -2.691 0.000 -0.538) 2.744 6.256 ( 8.127 0.000 -2.663) 8.553 6.294 ( -4.158 0.000 2.465) 4.833 6.329 ( 3.308 0.000 -4.207) 5.352 6.470 ( 3.246 0.000 0.128) 3.248 6.627 ( 1.369 0.000 -1.183) 1.809 6.713 ( -1.559 0.000 -0.663) 1.694 6.792 ( -1.944 0.000 -1.425) 2.411 6.834 ( -1.008 0.000 -0.090) 1.012 7.007 ( 1.980 0.000 7.749) 7.997 7.059 ( 4.608 0.000 -1.812) 4.952 7.346 ( -6.677 0.000 0.389) 6.688 7.409 ( 1.758 0.000 -5.661) 5.928 7.448 ( 1.051 0.000 -2.527) 2.737 7.540 ( -5.203 0.000 -1.173) 5.334 7.704 ( 7.402 0.000 -2.671) 7.869 7.769 ( 2.466 0.000 0.886) 2.621 8.149 ( 0.103 0.000 3.880) 3.882 8.241 ( -3.416 0.000 1.038) 3.571 8.360 ( -1.640 0.000 -2.097) 2.662 8.497 ( -2.200 0.000 -0.779) 2.334 8.592 ( -0.224 0.000 -1.664) 1.679 8.600 ( 3.476 0.000 1.486) 3.781 8.643 ( 2.210 0.000 -0.539) 2.275 8.864 ( 2.467 0.000 -1.802) 3.055 8.936 ( -1.261 0.000 6.614) 6.733 9.003 ( -3.425 0.000 0.461) 3.456 9.185 ( -1.478 0.000 -4.794) 5.017 9.200 ( 0.624 0.000 -1.839) 1.942 9.528 ( 0.632 0.000 4.324) 4.369 9.624 ( -2.195 0.000 1.169) 2.487 9.682 ( 0.234 0.000 -4.354) 4.360 9.793 ( 0.320 0.000 -4.533) 4.545 ======================= Grid point 77 (45/74) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -6.159 0.000 3.148) 6.917 0.777 ( -2.079 0.000 0.564) 2.155 0.782 ( -1.755 0.000 5.470) 5.745 0.808 ( 1.781 0.000 1.535) 2.351 0.886 ( 0.258 0.000 -1.417) 1.441 0.921 ( -1.777 0.000 1.425) 2.278 0.970 ( -2.601 0.000 3.413) 4.291 1.071 ( -2.119 0.000 -0.589) 2.200 1.255 ( -1.314 0.000 -3.404) 3.648 1.276 ( 1.471 0.000 -2.274) 2.708 1.296 ( -2.954 0.000 -0.439) 2.986 1.360 ( -3.991 0.000 5.893) 7.118 1.404 ( -2.616 0.000 -0.676) 2.702 1.438 ( 3.316 0.000 2.951) 4.439 1.488 ( 0.839 0.000 1.106) 1.388 1.577 ( -4.525 0.000 -1.515) 4.772 1.578 ( 0.301 0.000 -1.551) 1.580 1.660 ( -0.167 0.000 -0.126) 0.209 1.742 ( -1.836 0.000 -2.751) 3.308 1.806 ( 2.831 0.000 -6.067) 6.695 1.868 ( 0.883 0.000 -1.488) 1.730 1.876 ( 3.313 0.000 3.281) 4.663 1.968 ( 0.483 0.000 -0.087) 0.491 2.000 ( -2.850 0.000 1.493) 3.218 2.040 ( 1.314 0.000 -2.108) 2.483 2.110 ( 0.110 0.000 3.451) 3.452 2.134 ( 3.039 0.000 -8.059) 8.613 2.212 ( -1.321 0.000 -1.205) 1.788 2.237 ( 0.104 0.000 2.583) 2.585 2.266 ( 0.443 0.000 -2.012) 2.060 2.272 ( 0.228 0.000 1.296) 1.316 2.428 ( -1.506 0.000 -6.335) 6.512 2.491 ( -4.812 0.000 2.778) 5.557 2.572 ( -3.970 0.000 -3.327) 5.180 2.627 ( 0.757 0.000 1.851) 2.000 2.712 ( -1.395 0.000 -4.470) 4.683 2.845 ( -0.185 0.000 7.447) 7.449 3.021 ( 2.935 0.000 1.192) 3.168 3.045 ( 3.255 0.000 8.135) 8.762 3.179 ( 2.538 0.000 8.059) 8.449 3.231 ( 6.564 0.000 1.377) 6.707 3.252 ( 0.697 0.000 3.074) 3.152 3.313 ( 2.205 0.000 -0.536) 2.269 3.416 ( 2.060 0.000 -1.120) 2.345 3.699 ( -5.390 0.000 3.611) 6.488 3.785 ( -4.208 0.000 2.396) 4.842 3.856 ( -1.138 0.000 0.474) 1.233 3.953 ( -1.025 0.000 0.260) 1.058 5.625 ( 1.582 0.000 1.335) 2.069 5.671 ( -0.899 0.000 -1.369) 1.638 5.746 ( -3.630 0.000 0.058) 3.630 5.888 ( 3.249 0.000 0.307) 3.263 6.151 ( -8.144 0.000 -0.774) 8.181 6.332 ( 0.752 0.000 -3.334) 3.418 6.399 ( 3.764 0.000 -2.541) 4.541 6.437 ( -3.273 0.000 -5.037) 6.007 6.601 ( 0.029 0.000 -0.600) 0.601 6.643 ( -1.661 0.000 -0.743) 1.820 6.794 ( 0.512 0.000 -2.810) 2.856 6.849 ( -0.728 0.000 1.484) 1.653 7.093 ( 0.245 0.000 7.146) 7.150 7.126 ( 4.003 0.000 -1.961) 4.457 7.272 ( -1.310 0.000 2.545) 2.862 7.376 ( 1.370 0.000 -7.060) 7.192 7.488 ( 5.429 0.000 -3.221) 6.312 7.499 ( 0.727 0.000 1.434) 1.608 7.810 ( 0.477 0.000 2.142) 2.195 7.811 ( 5.485 0.000 -1.019) 5.579 8.171 ( -2.471 0.000 1.599) 2.943 8.219 ( 1.098 0.000 2.952) 3.149 8.309 ( -2.470 0.000 -0.368) 2.497 8.454 ( -1.558 0.000 -1.102) 1.909 8.576 ( 0.221 0.000 -2.236) 2.247 8.628 ( 1.521 0.000 -0.900) 1.767 8.690 ( 2.105 0.000 -1.819) 2.782 8.842 ( -3.269 0.000 -1.264) 3.505 8.912 ( -2.473 0.000 1.435) 2.859 9.006 ( -0.775 0.000 3.959) 4.034 9.103 ( -2.135 0.000 -4.719) 5.179 9.194 ( 0.119 0.000 -1.634) 1.638 9.548 ( -2.188 0.000 2.973) 3.691 9.638 ( 0.840 0.000 4.676) 4.751 9.674 ( 2.326 0.000 -2.510) 3.422 9.767 ( 0.742 0.000 -3.120) 3.207 ======================= Grid point 78 (46/74) ======================= q-point: (-0.62 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( -2.320 0.000 7.141) 7.508 0.772 ( -1.044 0.000 1.267) 1.642 0.794 ( -2.293 0.000 5.483) 5.943 0.827 ( 1.622 0.000 -1.604) 2.281 0.908 ( -0.703 0.000 1.772) 1.906 0.925 ( 4.350 0.000 0.343) 4.363 0.968 ( -0.389 0.000 2.016) 2.053 1.048 ( 0.738 0.000 -1.336) 1.526 1.146 ( -4.055 0.000 -5.266) 6.646 1.264 ( -1.171 0.000 -0.319) 1.213 1.300 ( 1.127 0.000 1.977) 2.276 1.328 ( -3.714 0.000 4.405) 5.762 1.336 ( -3.159 0.000 -3.989) 5.088 1.486 ( -2.438 0.000 0.950) 2.616 1.498 ( -4.471 0.000 -2.639) 5.191 1.526 ( 0.965 0.000 -1.350) 1.659 1.539 ( 2.117 0.000 2.216) 3.065 1.636 ( -1.019 0.000 -2.273) 2.491 1.662 ( -0.125 0.000 -1.987) 1.991 1.822 ( 0.611 0.000 -3.520) 3.572 1.868 ( 1.047 0.000 -4.231) 4.359 1.901 ( -1.852 0.000 0.475) 1.912 1.947 ( -2.208 0.000 0.690) 2.313 1.990 ( -1.132 0.000 0.341) 1.182 2.068 ( -3.254 0.000 -5.391) 6.297 2.086 ( 5.273 0.000 -6.419) 8.308 2.135 ( -0.736 0.000 2.499) 2.605 2.197 ( -1.004 0.000 0.435) 1.095 2.240 ( 0.877 0.000 -2.640) 2.782 2.245 ( -1.555 0.000 1.779) 2.363 2.267 ( -2.959 0.000 -0.662) 3.032 2.359 ( 2.273 0.000 -7.104) 7.459 2.444 ( -3.841 0.000 3.535) 5.220 2.463 ( -2.116 0.000 -2.407) 3.205 2.695 ( 2.943 0.000 4.844) 5.668 2.698 ( 3.462 0.000 0.828) 3.560 2.904 ( -0.741 0.000 7.665) 7.700 3.067 ( -3.483 0.000 4.372) 5.590 3.098 ( 3.591 0.000 0.452) 3.619 3.277 ( -0.740 0.000 2.912) 3.004 3.299 ( 2.082 0.000 -2.272) 3.081 3.368 ( 2.621 0.000 -0.591) 2.687 3.375 ( 5.372 0.000 8.829) 10.335 3.462 ( 1.741 0.000 1.745) 2.465 3.613 ( -5.549 0.000 2.529) 6.098 3.758 ( -2.660 0.000 5.231) 5.869 3.848 ( -0.057 0.000 0.558) 0.561 3.933 ( -1.209 0.000 0.542) 1.325 5.663 ( -0.609 0.000 -0.767) 0.979 5.664 ( 1.668 0.000 -0.954) 1.922 5.697 ( -0.505 0.000 1.973) 2.036 5.916 ( 0.142 0.000 -5.299) 5.301 6.026 ( -3.074 0.000 -1.094) 3.263 6.248 ( -4.198 0.000 -0.564) 4.236 6.304 ( -5.644 0.000 -4.339) 7.119 6.397 ( 0.140 0.000 -3.591) 3.594 6.635 ( -0.590 0.000 0.807) 1.000 6.674 ( 4.091 0.000 -2.071) 4.586 6.756 ( 1.800 0.000 -1.980) 2.676 6.826 ( -0.801 0.000 1.507) 1.707 7.155 ( -0.532 0.000 -2.418) 2.476 7.164 ( -0.033 0.000 7.392) 7.393 7.318 ( -1.715 0.000 -5.918) 6.162 7.322 ( 3.695 0.000 2.551) 4.490 7.576 ( 5.953 0.000 0.307) 5.960 7.580 ( 5.702 0.000 -1.066) 5.801 7.825 ( -1.174 0.000 2.468) 2.733 7.887 ( 3.360 0.000 -0.708) 3.434 8.151 ( -0.145 0.000 1.677) 1.683 8.263 ( 0.077 0.000 1.946) 1.948 8.266 ( -1.730 0.000 -0.110) 1.734 8.413 ( -1.743 0.000 -1.202) 2.117 8.549 ( -0.897 0.000 -2.503) 2.659 8.669 ( 3.364 0.000 -2.037) 3.933 8.687 ( 0.953 0.000 -1.973) 2.191 8.772 ( -2.966 0.000 1.215) 3.206 8.886 ( -0.886 0.000 -1.031) 1.360 9.006 ( -2.395 0.000 3.007) 3.844 9.023 ( -2.288 0.000 -4.075) 4.673 9.174 ( -0.051 0.000 -2.526) 2.526 9.531 ( -2.320 0.000 3.486) 4.188 9.700 ( 0.528 0.000 4.981) 5.009 9.714 ( 3.350 0.000 -1.775) 3.791 9.773 ( 2.342 0.000 -1.210) 2.636 ======================= Grid point 79 (47/74) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 5.099 0.000 9.609) 10.878 0.723 ( -4.185 0.000 0.766) 4.255 0.799 ( -2.197 0.000 5.612) 6.026 0.857 ( 0.838 0.000 0.734) 1.114 0.930 ( 1.927 0.000 1.423) 2.395 0.985 ( 1.029 0.000 0.542) 1.163 1.028 ( 1.524 0.000 0.664) 1.662 1.048 ( -2.164 0.000 -2.998) 3.697 1.064 ( 4.367 0.000 -0.865) 4.451 1.195 ( -3.580 0.000 -4.861) 6.037 1.216 ( -3.478 0.000 -0.532) 3.518 1.341 ( 1.061 0.000 4.409) 4.535 1.359 ( 1.810 0.000 4.349) 4.710 1.425 ( -5.629 0.000 0.310) 5.637 1.462 ( 3.451 0.000 -2.687) 4.374 1.541 ( 0.586 0.000 -0.865) 1.045 1.551 ( -4.331 0.000 -3.281) 5.434 1.615 ( -0.722 0.000 -3.400) 3.476 1.622 ( 1.044 0.000 0.420) 1.125 1.755 ( -7.008 0.000 -6.506) 9.562 1.794 ( -0.496 0.000 -1.945) 2.007 1.851 ( -3.732 0.000 1.552) 4.042 1.903 ( -2.637 0.000 -0.325) 2.657 1.940 ( -0.655 0.000 -6.352) 6.386 1.950 ( -1.754 0.000 -1.263) 2.161 2.111 ( -2.155 0.000 -0.700) 2.266 2.160 ( 6.869 0.000 -5.726) 8.942 2.168 ( -5.014 0.000 -0.033) 5.014 2.187 ( -0.355 0.000 0.719) 0.802 2.236 ( -1.186 0.000 1.944) 2.277 2.271 ( 3.326 0.000 -1.105) 3.505 2.341 ( 0.590 0.000 -4.672) 4.709 2.409 ( -2.082 0.000 1.285) 2.446 2.486 ( 3.039 0.000 1.934) 3.602 2.792 ( 0.994 0.000 5.915) 5.998 2.832 ( 6.922 0.000 3.957) 7.973 2.969 ( 0.572 0.000 7.121) 7.143 3.034 ( -3.858 0.000 4.649) 6.041 3.153 ( 2.036 0.000 -0.348) 2.066 3.248 ( -4.218 0.000 1.472) 4.468 3.299 ( 0.028 0.000 -2.684) 2.684 3.379 ( 0.716 0.000 -2.938) 3.024 3.473 ( -2.425 0.000 4.126) 4.785 3.487 ( -0.715 0.000 3.015) 3.099 3.602 ( 1.433 0.000 5.896) 6.068 3.767 ( -2.228 0.000 6.215) 6.602 3.832 ( -2.342 0.000 -1.302) 2.679 3.943 ( 1.484 0.000 1.244) 1.936 5.624 ( -0.415 0.000 -2.372) 2.408 5.705 ( 2.282 0.000 -2.135) 3.125 5.707 ( -1.026 0.000 1.086) 1.494 5.830 ( 1.304 0.000 -7.841) 7.949 6.041 ( 4.120 0.000 0.807) 4.198 6.168 ( -4.681 0.000 -1.699) 4.980 6.207 ( -2.012 0.000 0.584) 2.095 6.378 ( 1.770 0.000 -3.612) 4.022 6.558 ( -4.008 0.000 -2.179) 4.562 6.692 ( 1.268 0.000 -4.770) 4.936 6.857 ( 4.757 0.000 4.390) 6.473 6.902 ( 4.939 0.000 4.737) 6.844 7.072 ( -4.948 0.000 -2.897) 5.734 7.190 ( -4.264 0.000 -1.475) 4.512 7.230 ( -1.424 0.000 2.376) 2.770 7.398 ( 2.058 0.000 0.278) 2.077 7.634 ( -1.678 0.000 1.439) 2.211 7.701 ( 6.747 0.000 -0.590) 6.773 7.834 ( 1.094 0.000 2.325) 2.570 7.920 ( 1.205 0.000 -1.788) 2.156 8.197 ( 2.541 0.000 1.621) 3.014 8.246 ( 0.013 0.000 -0.539) 0.539 8.252 ( -1.279 0.000 0.020) 1.279 8.367 ( -1.721 0.000 -1.360) 2.194 8.508 ( -1.961 0.000 0.057) 1.962 8.650 ( -0.500 0.000 -2.820) 2.864 8.745 ( -1.798 0.000 0.178) 1.807 8.758 ( 4.890 0.000 -1.066) 5.005 8.868 ( 0.448 0.000 -1.338) 1.411 8.944 ( -2.200 0.000 -3.580) 4.202 8.987 ( -1.570 0.000 2.469) 2.926 9.161 ( 1.648 0.000 -2.787) 3.238 9.526 ( -1.829 0.000 3.794) 4.212 9.741 ( -0.432 0.000 3.784) 3.809 9.749 ( 2.808 0.000 -2.900) 4.037 9.832 ( 3.718 0.000 0.142) 3.721 ======================= Grid point 80 (48/74) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -4.774 0.000 4.815) 6.781 0.771 ( -4.165 0.000 3.796) 5.636 0.858 ( -0.110 0.000 3.990) 3.992 0.860 ( -0.867 0.000 0.728) 1.132 0.970 ( -4.736 0.000 0.127) 4.737 0.992 ( 1.513 0.000 -1.122) 1.884 1.023 ( 0.330 0.000 -0.109) 0.347 1.039 ( -2.236 0.000 -3.027) 3.763 1.053 ( 2.967 0.000 0.725) 3.054 1.144 ( -1.919 0.000 0.151) 1.925 1.244 ( -7.124 0.000 1.516) 7.284 1.261 ( 5.268 0.000 0.469) 5.288 1.422 ( -5.176 0.000 -1.206) 5.315 1.432 ( -1.023 0.000 -2.036) 2.279 1.461 ( 0.336 0.000 1.563) 1.599 1.475 ( 1.726 0.000 3.654) 4.041 1.528 ( 0.030 0.000 1.432) 1.433 1.548 ( 5.438 0.000 -4.299) 6.932 1.674 ( 2.387 0.000 4.113) 4.756 1.716 ( 4.508 0.000 -1.956) 4.914 1.781 ( -0.884 0.000 1.907) 2.102 1.803 ( -2.873 0.000 1.908) 3.448 1.861 ( -0.288 0.000 -0.436) 0.522 1.896 ( 0.729 0.000 -4.696) 4.752 1.913 ( -0.465 0.000 -3.683) 3.712 2.050 ( -3.725 0.000 0.891) 3.830 2.117 ( -1.588 0.000 1.524) 2.201 2.180 ( -1.513 0.000 0.448) 1.578 2.209 ( 3.646 0.000 -5.475) 6.578 2.225 ( -1.695 0.000 1.398) 2.197 2.309 ( -0.377 0.000 -0.843) 0.923 2.343 ( 4.639 0.000 -1.549) 4.891 2.388 ( 0.586 0.000 -2.197) 2.274 2.572 ( 3.614 0.000 2.416) 4.347 2.819 ( -2.369 0.000 2.929) 3.767 2.961 ( 2.231 0.000 0.810) 2.374 2.976 ( -3.725 0.000 3.737) 5.277 3.063 ( -1.162 0.000 5.418) 5.542 3.143 ( -2.370 0.000 -1.046) 2.591 3.188 ( -2.411 0.000 3.117) 3.941 3.271 ( 1.168 0.000 -2.141) 2.439 3.381 ( 1.855 0.000 -1.818) 2.597 3.432 ( -4.499 0.000 3.189) 5.515 3.508 ( -0.126 0.000 3.649) 3.651 3.681 ( -0.010 0.000 5.519) 5.519 3.741 ( -4.968 0.000 -2.842) 5.723 3.787 ( -1.311 0.000 6.216) 6.353 3.973 ( 0.670 0.000 -0.316) 0.741 5.626 ( 2.203 0.000 -0.202) 2.212 5.674 ( 1.007 0.000 -4.762) 4.867 5.701 ( 0.826 0.000 -0.868) 1.199 5.914 ( 9.669 0.000 -2.654) 10.027 6.075 ( -3.711 0.000 -2.494) 4.471 6.139 ( 4.119 0.000 1.165) 4.280 6.194 ( 0.056 0.000 1.060) 1.062 6.375 ( -0.067 0.000 -4.721) 4.722 6.518 ( 2.122 0.000 1.331) 2.505 6.654 ( -1.122 0.000 -3.309) 3.494 6.923 ( -6.050 0.000 -2.852) 6.688 6.959 ( 0.521 0.000 5.068) 5.095 7.054 ( 4.674 0.000 3.192) 5.660 7.061 ( -4.234 0.000 -4.413) 6.116 7.246 ( -1.112 0.000 3.713) 3.875 7.402 ( -1.065 0.000 -0.659) 1.253 7.567 ( -5.211 0.000 2.470) 5.766 7.777 ( 2.365 0.000 -4.588) 5.162 7.886 ( 1.182 0.000 1.340) 1.787 7.909 ( 0.286 0.000 -1.576) 1.602 8.219 ( -0.837 0.000 2.240) 2.391 8.255 ( 1.434 0.000 -1.302) 1.937 8.267 ( 1.557 0.000 -0.630) 1.679 8.340 ( 0.188 0.000 0.117) 0.221 8.491 ( -0.139 0.000 1.238) 1.246 8.607 ( -1.348 0.000 -3.254) 3.522 8.695 ( -2.350 0.000 -1.289) 2.681 8.803 ( -0.606 0.000 -0.702) 0.927 8.871 ( 0.131 0.000 0.177) 0.220 8.908 ( 3.165 0.000 -3.302) 4.573 9.010 ( 1.595 0.000 2.112) 2.646 9.192 ( 3.798 0.000 -2.009) 4.297 9.526 ( -1.932 0.000 3.564) 4.054 9.753 ( -0.908 0.000 1.776) 1.995 9.774 ( 3.038 0.000 -3.728) 4.809 9.890 ( 2.346 0.000 -0.725) 2.455 ======================= Grid point 81 (49/74) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -4.942 0.000 7.702) 9.151 0.669 ( -7.820 0.000 1.273) 7.923 0.795 ( -6.621 0.000 3.753) 7.611 0.861 ( -0.079 0.000 1.734) 1.736 0.892 ( -4.307 0.000 0.560) 4.343 0.970 ( -1.237 0.000 -1.719) 2.118 0.984 ( 1.047 0.000 -1.672) 1.973 1.074 ( -0.271 0.000 5.000) 5.007 1.097 ( 5.562 0.000 1.050) 5.660 1.153 ( 1.363 0.000 -0.762) 1.562 1.217 ( -4.729 0.000 0.421) 4.748 1.289 ( 1.712 0.000 8.420) 8.593 1.385 ( 1.702 0.000 1.322) 2.154 1.418 ( -2.841 0.000 2.118) 3.544 1.466 ( 0.859 0.000 -0.402) 0.949 1.514 ( -1.451 0.000 1.046) 1.789 1.559 ( 1.089 0.000 1.981) 2.261 1.617 ( 1.745 0.000 -0.850) 1.941 1.727 ( -0.891 0.000 2.437) 2.595 1.767 ( 2.158 0.000 -1.874) 2.858 1.824 ( 4.308 0.000 -1.275) 4.492 1.829 ( -0.722 0.000 -2.578) 2.678 1.881 ( 2.254 0.000 1.313) 2.609 1.893 ( 1.873 0.000 -1.655) 2.500 1.908 ( 5.714 0.000 3.133) 6.517 2.009 ( -2.180 0.000 2.219) 3.111 2.117 ( -0.167 0.000 2.305) 2.311 2.146 ( -0.705 0.000 -0.636) 0.950 2.207 ( -1.229 0.000 1.567) 1.991 2.235 ( 2.948 0.000 -1.693) 3.400 2.301 ( 0.280 0.000 -0.890) 0.933 2.357 ( 0.172 0.000 -1.988) 1.995 2.434 ( 4.672 0.000 -2.796) 5.444 2.653 ( 2.718 0.000 1.856) 3.291 2.763 ( -3.780 0.000 -1.221) 3.973 2.882 ( -6.183 0.000 -3.918) 7.319 2.939 ( -3.774 0.000 2.287) 4.413 3.044 ( -3.290 0.000 4.354) 5.457 3.138 ( 1.843 0.000 -0.444) 1.896 3.209 ( -1.007 0.000 3.594) 3.732 3.284 ( 0.995 0.000 -1.528) 1.823 3.361 ( -6.225 0.000 2.966) 6.896 3.375 ( -1.398 0.000 -2.779) 3.111 3.553 ( -0.230 0.000 2.594) 2.604 3.622 ( -2.966 0.000 -1.334) 3.252 3.706 ( -1.572 0.000 4.915) 5.160 3.829 ( -0.390 0.000 5.899) 5.912 3.962 ( -0.610 0.000 -1.303) 1.439 5.701 ( 4.250 0.000 -1.143) 4.401 5.701 ( 3.215 0.000 1.260) 3.453 5.735 ( 4.991 0.000 -0.115) 4.992 5.971 ( -2.444 0.000 -4.397) 5.031 6.088 ( 8.767 0.000 -1.142) 8.841 6.193 ( 0.054 0.000 0.920) 0.921 6.208 ( -0.690 0.000 0.571) 0.896 6.300 ( -2.404 0.000 -3.253) 4.045 6.601 ( -2.496 0.000 0.039) 2.496 6.615 ( 3.922 0.000 1.432) 4.175 6.810 ( -1.168 0.000 -4.263) 4.420 6.914 ( -6.404 0.000 3.213) 7.165 7.022 ( 0.951 0.000 -0.982) 1.367 7.129 ( 0.692 0.000 2.038) 2.153 7.265 ( 1.052 0.000 1.240) 1.626 7.358 ( -2.394 0.000 -0.826) 2.533 7.541 ( 0.269 0.000 2.497) 2.512 7.702 ( -1.866 0.000 -9.468) 9.650 7.877 ( -2.946 0.000 0.146) 2.950 7.901 ( -1.100 0.000 -1.276) 1.684 8.225 ( -2.256 0.000 1.742) 2.850 8.267 ( 0.059 0.000 0.843) 0.845 8.272 ( 2.368 0.000 -1.703) 2.917 8.386 ( 2.215 0.000 3.272) 3.951 8.523 ( 2.338 0.000 0.788) 2.467 8.545 ( -0.706 0.000 -5.044) 5.094 8.663 ( 0.046 0.000 -0.120) 0.129 8.752 ( -3.605 0.000 0.436) 3.632 8.876 ( -0.088 0.000 0.911) 0.915 8.985 ( 6.595 0.000 -1.914) 6.867 9.063 ( 1.597 0.000 1.822) 2.423 9.249 ( 3.737 0.000 -2.200) 4.336 9.513 ( -2.660 0.000 3.131) 4.108 9.741 ( -1.023 0.000 -0.254) 1.054 9.792 ( 2.835 0.000 -4.770) 5.549 9.901 ( 0.225 0.000 -2.172) 2.184 ======================= Grid point 82 (50/74) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 1.086 0.000 7.395) 7.474 0.646 ( -1.120 0.000 8.584) 8.657 0.758 ( -1.219 0.000 5.565) 5.697 0.824 ( -3.588 0.000 2.231) 4.225 0.873 ( -0.436 0.000 1.561) 1.620 0.953 ( -0.001 0.000 -0.733) 0.733 0.991 ( 0.255 0.000 0.104) 0.276 1.107 ( -4.033 0.000 3.357) 5.247 1.122 ( -1.129 0.000 7.491) 7.576 1.185 ( 2.905 0.000 -1.059) 3.092 1.304 ( 7.598 0.000 1.737) 7.794 1.312 ( -3.767 0.000 3.739) 5.308 1.435 ( 2.205 0.000 2.002) 2.978 1.448 ( -0.849 0.000 6.003) 6.062 1.454 ( -1.214 0.000 0.207) 1.231 1.511 ( 0.175 0.000 2.367) 2.373 1.591 ( 2.411 0.000 2.520) 3.488 1.621 ( 1.323 0.000 0.250) 1.346 1.740 ( -0.850 0.000 -0.829) 1.187 1.757 ( -0.934 0.000 -1.834) 2.059 1.779 ( -0.110 0.000 -0.621) 0.631 1.882 ( 4.897 0.000 -5.845) 7.625 1.889 ( -0.445 0.000 -0.720) 0.847 1.913 ( 0.547 0.000 0.977) 1.120 2.001 ( -0.851 0.000 1.782) 1.974 2.045 ( 2.069 0.000 3.893) 4.409 2.151 ( 1.478 0.000 -1.635) 2.204 2.152 ( 0.672 0.000 2.952) 3.027 2.230 ( 1.634 0.000 3.047) 3.458 2.261 ( -0.153 0.000 -0.152) 0.216 2.326 ( 3.598 0.000 -0.820) 3.690 2.345 ( 1.195 0.000 -3.154) 3.373 2.481 ( 1.740 0.000 -0.522) 1.817 2.690 ( -1.390 0.000 1.131) 1.792 2.690 ( -1.569 0.000 -1.989) 2.534 2.770 ( -0.242 0.000 -2.795) 2.805 2.864 ( -5.457 0.000 0.886) 5.528 3.029 ( -3.871 0.000 4.343) 5.818 3.153 ( 0.054 0.000 -2.990) 2.991 3.181 ( -4.157 0.000 1.757) 4.513 3.251 ( -3.811 0.000 -0.630) 3.863 3.269 ( -5.273 0.000 2.851) 5.994 3.303 ( -1.687 0.000 -4.238) 4.562 3.449 ( -4.516 0.000 -3.985) 6.022 3.697 ( 4.255 0.000 4.756) 6.382 3.725 ( -1.183 0.000 4.881) 5.022 3.869 ( -0.765 0.000 5.103) 5.160 3.949 ( 0.504 0.000 -0.969) 1.093 5.719 ( -0.709 0.000 -0.842) 1.101 5.743 ( -0.239 0.000 -2.061) 2.075 5.870 ( 5.581 0.000 -0.721) 5.627 5.953 ( 5.307 0.000 -2.416) 5.831 6.136 ( -6.149 0.000 1.442) 6.316 6.166 ( -0.179 0.000 0.550) 0.578 6.229 ( 5.806 0.000 -0.207) 5.810 6.277 ( 0.202 0.000 2.175) 2.184 6.599 ( 3.302 0.000 -0.413) 3.328 6.625 ( -3.445 0.000 1.894) 3.931 6.806 ( 2.842 0.000 -2.861) 4.033 6.871 ( -3.043 0.000 6.596) 7.264 7.028 ( -0.082 0.000 -2.632) 2.633 7.131 ( -2.100 0.000 1.140) 2.390 7.310 ( 4.102 0.000 -1.313) 4.307 7.327 ( 0.644 0.000 -0.688) 0.942 7.587 ( 1.819 0.000 0.994) 2.072 7.597 ( 0.981 0.000 -9.170) 9.223 7.786 ( -5.883 0.000 -0.791) 5.936 7.826 ( -4.918 0.000 -2.497) 5.516 8.170 ( -3.498 0.000 0.968) 3.629 8.291 ( -0.470 0.000 2.812) 2.851 8.332 ( 5.345 0.000 -0.194) 5.348 8.434 ( -0.722 0.000 1.574) 1.731 8.522 ( 3.620 0.000 -4.715) 5.945 8.584 ( 2.875 0.000 0.510) 2.920 8.686 ( -5.003 0.000 2.983) 5.825 8.692 ( 2.640 0.000 1.088) 2.856 8.885 ( -0.309 0.000 1.887) 1.912 9.090 ( -0.306 0.000 1.056) 1.100 9.098 ( 6.855 0.000 -2.383) 7.258 9.277 ( 1.621 0.000 -3.139) 3.533 9.489 ( -2.564 0.000 3.036) 3.974 9.711 ( -1.462 0.000 -1.186) 1.883 9.784 ( 1.023 0.000 -5.470) 5.565 9.869 ( -0.282 0.000 -3.813) 3.824 ======================= Grid point 83 (51/74) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -1.083 1.452 6.756) 6.995 0.740 ( 0.984 -0.633 5.182) 5.313 0.814 ( -1.089 4.122 1.917) 4.674 0.861 ( -3.377 0.874 4.653) 5.815 0.897 ( 0.787 -0.898 2.231) 2.530 0.910 ( -0.057 -2.804 0.769) 2.908 1.019 ( -0.780 2.319 1.950) 3.128 1.073 ( -2.115 -1.956 5.627) 6.321 1.186 ( 3.617 -1.332 6.016) 7.145 1.190 ( 4.841 -0.980 0.631) 4.979 1.291 ( -2.683 1.549 2.584) 4.034 1.358 ( -3.251 -3.867 1.745) 5.345 1.401 ( -0.079 1.606 -1.189) 2.000 1.426 ( -0.507 -0.538 -0.825) 1.108 1.551 ( 1.553 4.984 2.705) 5.879 1.592 ( 1.176 2.305 -1.026) 2.784 1.683 ( -1.017 -1.277 -2.100) 2.659 1.691 ( 1.628 0.075 1.229) 2.041 1.705 ( -1.781 1.300 -0.183) 2.213 1.749 ( 2.711 -0.075 -1.119) 2.934 1.777 ( 0.923 -1.283 -2.125) 2.648 1.855 ( 5.437 -4.319 -5.657) 8.957 1.949 ( -0.520 2.279 2.299) 3.279 1.988 ( 2.886 3.476 4.883) 6.652 1.998 ( 0.180 -0.827 2.641) 2.773 2.058 ( -0.926 -1.842 2.598) 3.317 2.156 ( 1.825 -0.394 0.355) 1.901 2.168 ( 0.774 -1.598 2.252) 2.868 2.251 ( 0.895 -0.091 -0.562) 1.061 2.282 ( 0.304 -0.883 -2.020) 2.226 2.317 ( 1.224 2.396 -0.893) 2.835 2.384 ( 2.504 -1.651 -0.484) 3.038 2.530 ( 0.970 3.545 3.916) 5.371 2.642 ( 0.115 -4.995 3.163) 5.913 2.698 ( -2.585 2.189 -1.351) 3.647 2.728 ( 0.086 3.716 -0.578) 3.762 2.826 ( -4.660 -0.444 0.732) 4.738 2.924 ( -3.696 -6.591 1.253) 7.659 3.011 ( -5.584 -0.116 -0.630) 5.620 3.051 ( -5.371 -1.942 -2.578) 6.266 3.168 ( -0.767 2.324 1.531) 2.886 3.217 ( -1.109 -1.683 -1.680) 2.623 3.361 ( -0.830 4.028 0.438) 4.135 3.402 ( -0.594 0.034 -1.240) 1.376 3.788 ( -1.793 2.973 3.740) 5.103 3.822 ( 1.334 0.628 3.032) 3.371 3.869 ( -0.223 -0.235 2.804) 2.822 3.921 ( 1.311 -2.995 0.193) 3.276 5.700 ( -2.672 2.383 -0.830) 3.675 5.717 ( -1.171 0.960 -1.140) 1.895 5.889 ( -0.538 0.644 -2.428) 2.569 5.923 ( -2.439 -3.037 -1.936) 4.350 6.172 ( 6.483 4.588 -1.148) 8.025 6.195 ( 0.544 -0.327 -0.069) 0.639 6.257 ( -0.644 -4.630 0.798) 4.743 6.303 ( 6.231 -6.334 0.148) 8.887 6.638 ( 1.394 6.609 5.483) 8.700 6.772 ( 1.560 -2.164 0.754) 2.772 6.807 ( 4.277 2.806 2.325) 5.619 6.886 ( 0.754 -2.216 3.008) 3.811 6.966 ( -4.253 3.650 -2.730) 6.234 7.044 ( -2.942 -2.497 -1.046) 3.998 7.375 ( 2.979 0.652 -1.420) 3.364 7.387 ( 3.584 -0.250 -2.628) 4.451 7.586 ( -5.824 2.760 -1.170) 6.550 7.617 ( 3.354 1.430 -5.155) 6.314 7.662 ( -5.869 -2.049 -2.406) 6.666 7.682 ( 1.624 -2.829 -1.489) 3.586 8.160 ( -1.921 2.325 2.653) 4.017 8.229 ( -1.871 -3.691 2.089) 4.636 8.449 ( -1.399 2.622 -1.621) 3.385 8.473 ( 4.484 0.584 -0.342) 4.535 8.529 ( 1.226 -0.847 -0.761) 1.673 8.551 ( -0.523 -2.951 3.247) 4.419 8.697 ( 1.324 3.808 -0.556) 4.070 8.772 ( 3.879 -2.292 -1.202) 4.663 8.925 ( -0.732 2.834 4.828) 5.646 9.007 ( -0.639 -4.076 2.312) 4.730 9.206 ( 1.048 1.648 -3.421) 3.939 9.237 ( -0.346 -1.196 -3.655) 3.861 9.532 ( -1.139 3.505 1.592) 4.014 9.612 ( -1.886 -3.587 -0.782) 4.127 9.780 ( -0.317 2.578 -4.484) 5.182 9.821 ( 0.309 -1.068 -4.860) 4.985 ======================= Grid point 84 (52/74) ======================= q-point: ( 0.12 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -0.452 1.048 4.535) 4.677 0.774 ( -1.028 -1.310 3.593) 3.960 0.808 ( -1.915 5.287 2.091) 5.999 0.827 ( -3.468 1.280 2.860) 4.674 0.884 ( -1.878 -1.650 1.299) 2.817 0.925 ( -0.505 -2.200 1.595) 2.764 1.014 ( -1.457 1.949 1.776) 3.013 1.069 ( -1.961 -2.694 2.381) 4.095 1.263 ( -0.939 -0.031 0.267) 0.977 1.270 ( 0.608 0.789 -0.319) 1.046 1.299 ( 0.176 -1.871 2.951) 3.498 1.329 ( -1.742 -3.009 0.224) 3.484 1.387 ( 0.788 1.694 2.477) 3.103 1.422 ( 0.447 -1.204 1.543) 2.008 1.538 ( -1.404 3.731 -0.777) 4.061 1.600 ( -0.540 0.699 -0.420) 0.978 1.637 ( 0.434 -0.647 -1.617) 1.795 1.674 ( -1.845 0.214 -1.005) 2.112 1.737 ( 4.509 0.462 -0.517) 4.562 1.762 ( -0.504 1.003 -0.521) 1.238 1.784 ( 1.013 -1.645 -3.066) 3.624 1.884 ( 2.255 -3.338 -4.241) 5.850 1.967 ( 0.693 1.039 1.489) 1.943 2.009 ( -0.886 -1.365 3.050) 3.457 2.058 ( -0.621 1.245 1.289) 1.896 2.078 ( 0.285 0.087 0.743) 0.801 2.191 ( 1.469 2.305 -2.208) 3.514 2.213 ( 1.838 0.856 2.297) 3.064 2.257 ( -0.754 -0.917 -1.940) 2.274 2.271 ( 0.964 -0.841 -1.055) 1.659 2.310 ( -1.011 2.873 -1.486) 3.388 2.391 ( 0.160 -4.128 -2.589) 4.875 2.582 ( -1.364 2.857 2.321) 3.925 2.627 ( -3.171 -0.103 2.103) 3.807 2.707 ( 1.253 3.443 1.222) 3.862 2.737 ( 2.224 -0.953 1.419) 2.805 2.799 ( 2.160 1.868 5.645) 6.326 2.870 ( -2.443 1.002 1.375) 2.977 2.947 ( -1.920 -4.176 -0.628) 4.639 3.000 ( 2.744 -6.804 1.630) 7.515 3.187 ( 0.210 2.269 3.205) 3.932 3.214 ( 0.823 -0.392 1.652) 1.887 3.350 ( -0.546 3.184 -0.446) 3.261 3.390 ( -0.073 -0.844 -0.942) 1.267 3.771 ( -3.207 2.338 2.874) 4.901 3.821 ( -3.358 -2.123 2.081) 4.485 3.890 ( 0.045 1.970 1.019) 2.218 3.938 ( 0.120 -1.961 0.383) 2.002 5.635 ( -2.423 1.924 -0.319) 3.110 5.680 ( -2.706 -1.514 0.086) 3.102 5.860 ( 0.199 3.083 -0.953) 3.233 5.883 ( -0.758 0.749 -1.213) 1.615 6.195 ( -1.195 -3.207 -0.083) 3.423 6.233 ( 2.467 -5.802 -2.609) 6.823 6.318 ( 6.740 3.871 -1.058) 7.845 6.429 ( 5.194 -5.211 -1.144) 7.445 6.691 ( -0.867 5.909 0.472) 5.991 6.765 ( -1.671 -0.449 -1.254) 2.136 6.848 ( -4.332 4.843 0.085) 6.498 6.869 ( 0.691 4.449 -0.059) 4.503 6.942 ( 0.530 -4.673 6.275) 7.842 7.008 ( 0.825 -4.901 -2.546) 5.584 7.371 ( -2.892 1.509 -0.197) 3.268 7.400 ( 0.653 -1.002 -2.454) 2.730 7.501 ( 1.127 4.461 -3.363) 5.699 7.556 ( -2.236 0.572 -1.403) 2.700 7.682 ( 5.829 -1.184 -2.675) 6.522 7.718 ( 2.240 -3.747 0.049) 4.366 8.166 ( -0.506 1.514 3.505) 3.852 8.209 ( -2.072 -2.253 2.037) 3.677 8.407 ( -1.603 3.400 -1.403) 4.012 8.472 ( -1.877 -2.219 -0.768) 3.006 8.577 ( 1.130 -0.106 -0.351) 1.188 8.590 ( 3.731 -0.950 0.538) 3.887 8.708 ( 0.954 4.649 -1.401) 4.948 8.812 ( 1.655 -4.316 -1.859) 4.982 8.956 ( -1.715 1.640 4.957) 5.496 8.990 ( -2.778 -1.211 1.874) 3.564 9.182 ( -1.131 -0.123 -3.987) 4.146 9.188 ( -0.300 -0.714 -2.580) 2.694 9.544 ( 0.069 1.405 3.291) 3.579 9.583 ( -1.050 -2.138 1.410) 2.768 9.737 ( -0.067 3.001 -3.983) 4.987 9.783 ( 0.244 -1.160 -4.405) 4.561 ======================= Grid point 85 (53/74) ======================= q-point: ( 0.25 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -4.402 3.792 2.404) 6.288 0.777 ( -2.700 -0.633 2.940) 4.041 0.791 ( 0.282 1.388 0.741) 1.599 0.811 ( 0.329 0.155 2.486) 2.513 0.880 ( 0.543 1.520 1.855) 2.460 0.933 ( -0.035 -0.187 1.378) 1.391 0.995 ( -1.686 1.959 1.430) 2.955 1.050 ( -1.766 -2.255 1.169) 3.094 1.204 ( -1.524 -1.680 -2.794) 3.598 1.221 ( -3.513 -1.990 -3.716) 5.487 1.291 ( -0.441 0.458 0.536) 0.832 1.345 ( 2.070 -4.529 1.621) 5.236 1.434 ( -0.023 1.931 2.300) 3.003 1.439 ( -0.875 0.927 0.477) 1.361 1.530 ( 0.028 2.293 -0.324) 2.316 1.577 ( -2.965 -0.689 -1.682) 3.478 1.599 ( -2.007 1.718 -0.790) 2.757 1.631 ( -1.502 -0.403 -1.180) 1.952 1.719 ( -2.804 -1.893 -2.031) 3.946 1.776 ( 1.894 -4.469 0.108) 4.855 1.826 ( 3.913 1.857 -1.876) 4.720 1.886 ( 2.578 -1.654 -3.840) 4.912 1.994 ( 0.366 1.250 1.573) 2.042 2.019 ( -1.252 0.962 1.448) 2.142 2.043 ( -0.299 0.447 0.441) 0.696 2.077 ( 0.495 -0.801 0.092) 0.947 2.179 ( -0.306 1.097 -2.353) 2.614 2.208 ( -1.977 -1.035 -2.490) 3.343 2.251 ( -0.048 1.594 -0.343) 1.632 2.268 ( 0.171 0.255 -0.509) 0.595 2.286 ( 0.471 2.743 -0.688) 2.867 2.379 ( 0.052 -4.364 -3.003) 5.297 2.510 ( -5.580 1.866 0.377) 5.895 2.555 ( -4.704 -1.739 -1.105) 5.135 2.694 ( 0.203 4.472 -0.920) 4.570 2.741 ( -0.957 0.801 -2.885) 3.143 2.886 ( 0.648 4.299 6.321) 7.672 2.997 ( 3.235 -3.981 7.324) 8.942 3.020 ( 5.955 0.753 4.689) 7.617 3.098 ( 5.701 -5.903 5.256) 9.746 3.245 ( 2.903 1.975 3.907) 5.253 3.273 ( 2.991 0.232 2.786) 4.094 3.334 ( -0.033 1.556 -1.285) 2.019 3.380 ( -0.285 -2.706 0.246) 2.732 3.722 ( -4.327 1.923 2.139) 5.196 3.765 ( -3.838 -1.680 2.249) 4.756 3.883 ( -1.269 2.108 0.555) 2.522 3.931 ( -1.193 -1.917 0.380) 2.290 5.618 ( 0.377 0.134 0.531) 0.665 5.640 ( -1.209 -1.602 0.712) 2.129 5.819 ( -2.660 4.336 -1.745) 5.378 5.888 ( 0.309 -1.275 -1.206) 1.782 6.159 ( -1.242 2.882 -0.108) 3.140 6.282 ( 2.577 -6.862 -1.775) 7.542 6.368 ( -0.831 2.739 -2.842) 4.033 6.436 ( -0.882 -2.640 -2.906) 4.024 6.633 ( -2.699 3.374 -1.828) 4.692 6.715 ( -3.092 -2.731 -1.901) 4.542 6.764 ( -0.458 7.208 -1.968) 7.486 6.922 ( -0.399 1.956 0.249) 2.012 6.972 ( 2.616 -6.204 1.588) 6.918 7.043 ( 3.187 -5.315 1.991) 6.509 7.333 ( -1.420 3.000 1.895) 3.822 7.378 ( -0.602 -1.096 -2.357) 2.668 7.547 ( 4.926 4.519 -2.151) 7.023 7.562 ( 3.991 4.246 -0.700) 5.869 7.752 ( 0.819 -3.867 1.157) 4.118 7.761 ( 4.182 -3.742 -1.197) 5.738 8.187 ( -1.158 1.133 2.283) 2.799 8.208 ( 0.434 -0.750 3.028) 3.150 8.361 ( -2.363 3.638 -0.513) 4.368 8.428 ( -1.945 -2.254 -0.878) 3.104 8.590 ( 1.536 1.889 -2.138) 3.240 8.642 ( 2.261 -1.675 -0.815) 2.929 8.707 ( 0.574 3.681 -2.155) 4.304 8.803 ( -0.775 -3.893 -1.594) 4.277 8.916 ( -4.173 1.302 1.748) 4.709 8.967 ( -2.809 -2.834 2.503) 4.710 9.122 ( -1.197 1.540 -3.199) 3.747 9.164 ( -0.279 -2.121 -2.037) 2.955 9.572 ( -0.804 1.792 3.582) 4.086 9.611 ( 0.788 -1.673 4.003) 4.409 9.716 ( 1.323 2.508 -2.404) 3.717 9.757 ( 0.839 -1.101 -3.018) 3.320 ======================= Grid point 86 (54/74) ======================= q-point: (-0.62 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -1.928 3.993 3.463) 5.626 0.733 ( -1.837 -1.576 2.142) 3.232 0.830 ( -1.464 2.266 1.517) 3.095 0.846 ( 2.298 0.820 1.983) 3.144 0.930 ( 2.374 2.891 1.581) 4.062 0.949 ( 1.493 1.803 1.081) 2.579 0.992 ( 0.583 1.640 0.564) 1.829 1.036 ( 0.377 -1.463 -0.369) 1.555 1.127 ( -2.640 -0.103 -3.269) 4.203 1.190 ( 1.005 -5.189 -0.049) 5.286 1.270 ( -2.722 1.412 -0.839) 3.179 1.349 ( -3.673 -5.734 -2.386) 7.216 1.407 ( -1.369 3.907 1.448) 4.386 1.446 ( 1.392 2.100 -2.234) 3.367 1.494 ( -1.706 -0.626 -0.692) 1.944 1.527 ( -1.989 -1.132 0.200) 2.297 1.541 ( -1.099 2.370 -0.187) 2.620 1.605 ( -0.332 -2.713 -1.488) 3.113 1.675 ( -0.641 1.416 -1.587) 2.222 1.797 ( 0.051 -7.701 -0.242) 7.705 1.868 ( 2.048 4.055 -2.151) 5.027 1.903 ( 2.124 1.811 -3.651) 4.596 1.986 ( -2.648 1.787 2.471) 4.039 1.992 ( -1.121 0.474 -2.599) 2.870 2.055 ( -2.379 -1.593 -1.162) 3.090 2.076 ( -2.162 -0.700 -1.208) 2.574 2.127 ( 0.649 -0.355 -1.996) 2.128 2.163 ( -1.557 -3.406 -0.447) 3.772 2.243 ( 0.112 0.552 -0.065) 0.567 2.250 ( -1.219 -0.385 -1.426) 1.915 2.270 ( -1.339 2.568 -3.016) 4.181 2.325 ( -0.020 -2.495 -4.108) 4.806 2.443 ( -2.871 0.311 2.247) 3.659 2.455 ( -3.465 -0.647 -0.533) 3.565 2.725 ( 1.989 2.753 2.974) 4.515 2.752 ( 3.050 1.184 1.442) 3.575 2.945 ( -0.371 3.955 5.936) 7.143 3.034 ( -2.544 -2.717 4.411) 5.771 3.152 ( 3.956 3.550 2.304) 5.793 3.246 ( 3.743 -3.757 2.777) 5.986 3.304 ( -0.841 1.210 0.081) 1.476 3.346 ( 1.505 -1.190 -1.268) 2.300 3.361 ( 3.867 0.607 4.973) 6.328 3.421 ( 2.037 -3.633 4.537) 6.159 3.667 ( -3.073 3.828 2.551) 5.532 3.735 ( -2.431 -2.146 4.252) 5.348 3.866 ( -0.889 1.568 0.519) 1.876 3.908 ( -1.343 -1.991 0.528) 2.459 5.636 ( 1.024 0.133 0.387) 1.102 5.660 ( 0.954 -1.451 1.724) 2.447 5.755 ( -1.065 3.959 -2.715) 4.918 5.845 ( -1.023 -4.308 -4.105) 6.038 6.106 ( -4.090 5.217 -3.912) 7.697 6.227 ( -4.538 -5.500 -3.920) 8.137 6.316 ( -0.607 5.168 -0.283) 5.211 6.400 ( -1.963 -0.997 -2.347) 3.218 6.589 ( -0.592 -1.101 0.503) 1.347 6.641 ( -1.620 -5.391 -1.394) 5.800 6.794 ( 4.082 7.365 -0.703) 8.450 6.906 ( 0.586 0.881 -0.408) 1.134 7.060 ( 2.942 -2.397 2.043) 4.310 7.125 ( 2.314 -4.700 2.499) 5.805 7.326 ( -1.451 1.017 -1.726) 2.474 7.338 ( -0.521 0.014 -0.731) 0.898 7.628 ( 4.462 4.747 0.805) 6.564 7.659 ( 5.775 4.714 -1.064) 7.530 7.772 ( -0.061 -3.593 2.024) 4.124 7.819 ( 3.060 -5.221 -0.742) 6.097 8.191 ( 0.003 2.718 1.710) 3.211 8.241 ( 0.174 -1.651 1.738) 2.404 8.311 ( -2.471 3.264 -0.131) 4.096 8.382 ( -2.128 -2.705 -0.835) 3.542 8.587 ( 0.153 3.143 -2.747) 4.177 8.657 ( 0.255 -2.581 -2.783) 3.804 8.712 ( 2.686 3.340 -0.991) 4.400 8.776 ( -0.631 -1.069 0.376) 1.297 8.863 ( -2.395 -0.190 -0.092) 2.405 8.921 ( -3.401 -4.387 0.836) 5.614 9.081 ( -0.760 2.714 -1.969) 3.438 9.140 ( -0.097 -2.562 -2.347) 3.476 9.578 ( -1.799 3.480 3.416) 5.197 9.651 ( -0.240 -2.994 3.214) 4.399 9.749 ( 3.039 1.525 -0.344) 3.418 9.770 ( 2.652 -0.435 -1.042) 2.882 ======================= Grid point 87 (55/74) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 0.965 0.314 4.423) 4.538 0.746 ( -0.665 -0.069 4.583) 4.632 0.788 ( -3.063 2.994 2.256) 4.841 0.876 ( -1.268 -1.912 2.180) 3.165 0.964 ( 0.103 2.839 1.282) 3.117 1.006 ( -0.694 -0.242 0.870) 1.139 1.029 ( 3.074 1.932 -2.279) 4.287 1.051 ( 1.374 0.019 1.164) 1.800 1.094 ( 3.052 2.827 -1.224) 4.336 1.170 ( -3.494 -2.732 -1.735) 4.763 1.236 ( -1.267 0.110 -1.448) 1.928 1.259 ( 1.905 -2.788 3.293) 4.717 1.380 ( -3.786 1.703 -3.943) 5.726 1.446 ( 0.639 0.997 -0.964) 1.527 1.466 ( 0.423 1.136 -0.400) 1.276 1.525 ( -0.793 0.811 0.312) 1.176 1.556 ( 1.240 -3.352 0.345) 3.591 1.583 ( -0.121 -3.259 -0.361) 3.281 1.628 ( -1.604 3.787 -4.951) 6.437 1.746 ( -4.747 -3.722 -4.658) 7.621 1.845 ( -2.297 3.375 -2.970) 5.049 1.857 ( -3.362 1.242 -2.549) 4.398 1.918 ( -0.025 0.145 -3.519) 3.522 1.938 ( 0.480 -1.345 -5.455) 5.639 1.961 ( -3.902 2.723 2.427) 5.342 2.053 ( -1.710 -2.842 2.293) 4.032 2.137 ( -0.572 -2.299 -0.528) 2.427 2.145 ( -0.948 -1.329 2.044) 2.616 2.220 ( 1.755 2.902 -3.007) 4.532 2.253 ( 0.257 1.175 -0.408) 1.270 2.272 ( 3.194 -0.140 -0.693) 3.271 2.312 ( 0.937 -2.207 -2.482) 3.451 2.413 ( -2.476 0.105 1.579) 2.939 2.434 ( -0.125 -2.729 2.301) 3.572 2.810 ( 2.086 1.603 4.787) 5.462 2.842 ( 3.587 -0.569 3.176) 4.825 2.988 ( -0.237 1.397 5.777) 5.948 3.012 ( -3.552 -0.758 4.091) 5.470 3.214 ( 1.584 3.177 0.534) 3.590 3.273 ( -1.304 -0.735 -0.972) 1.785 3.283 ( -2.171 1.665 1.469) 3.105 3.360 ( 0.254 -2.408 0.253) 2.435 3.434 ( 0.044 0.086 2.417) 2.419 3.473 ( 0.438 -1.972 2.083) 2.901 3.675 ( 0.172 4.482 4.967) 6.693 3.745 ( -1.503 -1.948 5.475) 6.002 3.848 ( -1.556 1.694 -0.530) 2.360 3.906 ( 0.527 -2.973 0.727) 3.106 5.632 ( -0.757 0.818 -1.902) 2.205 5.659 ( -1.007 -1.665 -1.313) 2.348 5.770 ( 3.381 3.140 -0.977) 4.717 5.832 ( 3.806 -1.527 -4.098) 5.797 6.000 ( -1.589 1.361 -2.828) 3.517 6.107 ( -3.040 -5.800 -4.730) 8.079 6.299 ( -1.008 4.316 -0.509) 4.461 6.348 ( 0.061 -1.296 -2.575) 2.884 6.566 ( -1.852 2.226 0.810) 3.007 6.658 ( 0.973 -4.507 0.346) 4.624 6.875 ( 3.410 4.163 1.697) 5.643 6.952 ( 2.858 -0.478 1.882) 3.456 7.072 ( -1.986 1.973 -1.112) 3.012 7.147 ( -2.254 -3.488 1.101) 4.296 7.263 ( -2.096 3.041 -0.491) 3.725 7.347 ( 0.645 -4.081 -0.061) 4.132 7.690 ( -0.293 4.467 1.689) 4.785 7.748 ( 4.595 3.140 -0.987) 5.652 7.796 ( 0.961 -2.639 2.180) 3.556 7.861 ( 2.130 -4.600 -1.302) 5.234 8.218 ( 1.161 1.434 1.163) 2.181 8.244 ( -0.327 -0.756 0.139) 0.835 8.277 ( -0.674 2.541 -0.352) 2.652 8.338 ( -1.478 -2.499 -1.001) 3.071 8.552 ( -1.475 3.559 -0.828) 3.940 8.625 ( -0.484 -2.426 -2.384) 3.436 8.765 ( 1.539 1.236 -1.046) 2.234 8.788 ( 1.056 3.055 0.517) 3.273 8.815 ( -1.783 -3.013 -1.220) 3.708 8.876 ( -0.501 -4.026 -0.478) 4.085 9.060 ( 0.225 3.696 -1.273) 3.916 9.129 ( 1.547 -2.589 -2.350) 3.824 9.574 ( -1.595 3.854 3.142) 5.222 9.665 ( -0.497 -4.110 1.912) 4.560 9.801 ( 2.603 1.934 -0.393) 3.267 9.827 ( 3.404 -0.591 -0.137) 3.458 ======================= Grid point 88 (56/74) ======================= q-point: (-0.38 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -5.096 3.465 3.386) 7.032 0.758 ( -3.454 -1.183 2.758) 4.576 0.824 ( -0.475 -1.037 5.136) 5.261 0.873 ( -1.352 -3.998 4.484) 6.158 0.924 ( -4.360 2.481 -0.542) 5.046 0.978 ( -1.756 -0.991 0.743) 2.149 1.013 ( -0.324 0.881 -1.952) 2.166 1.063 ( -4.047 -3.930 -2.340) 6.107 1.112 ( 1.466 4.297 -1.099) 4.672 1.175 ( 4.395 1.237 2.493) 5.202 1.212 ( -5.335 1.947 -4.754) 7.406 1.317 ( 2.118 2.451 -0.404) 3.265 1.332 ( -1.325 -4.259 0.019) 4.460 1.390 ( 1.376 -2.285 3.754) 4.605 1.501 ( -1.073 1.458 0.725) 1.950 1.507 ( -1.963 1.284 -0.727) 2.455 1.536 ( -0.291 1.494 -1.051) 1.849 1.577 ( 6.858 1.045 -2.604) 7.410 1.633 ( 0.400 -2.381 1.123) 2.663 1.667 ( 2.770 -3.508 -1.438) 4.696 1.799 ( 1.379 1.076 -0.760) 1.907 1.845 ( 0.463 -1.626 -0.249) 1.709 1.898 ( -3.040 5.334 0.818) 6.194 1.904 ( 0.841 2.066 -2.285) 3.194 1.918 ( 0.335 0.310 -3.187) 3.220 2.039 ( -1.942 -3.553 1.408) 4.287 2.123 ( -1.221 0.320 1.657) 2.083 2.136 ( -1.763 -0.673 2.072) 2.802 2.244 ( 2.268 3.338 -1.716) 4.385 2.256 ( 0.351 1.999 -0.260) 2.047 2.300 ( 0.168 -0.811 -1.771) 1.955 2.330 ( 3.276 -1.325 -1.918) 4.020 2.381 ( -1.126 0.611 -0.025) 1.282 2.478 ( 1.620 -7.056 3.402) 7.999 2.846 ( -1.805 2.114 1.994) 3.421 2.904 ( -0.909 -3.149 1.690) 3.688 2.995 ( -1.228 1.515 3.744) 4.222 3.043 ( 0.046 -2.196 4.802) 5.281 3.214 ( -1.759 3.174 -0.357) 3.646 3.219 ( -3.797 4.842 1.226) 6.274 3.260 ( -0.052 -1.476 -0.323) 1.512 3.343 ( -2.761 -4.750 1.240) 5.632 3.443 ( 0.246 2.506 0.919) 2.680 3.493 ( 0.036 -1.594 1.907) 2.486 3.726 ( -0.412 2.853 4.976) 5.750 3.773 ( -0.852 -1.331 5.598) 5.817 3.796 ( -2.903 4.857 -1.595) 5.879 3.915 ( -0.101 -4.961 -0.628) 5.002 5.623 ( 1.838 0.075 -0.781) 1.998 5.638 ( 1.322 -1.301 -1.759) 2.557 5.777 ( 0.283 4.764 -3.383) 5.849 5.893 ( 2.645 -4.943 -3.202) 6.456 6.001 ( 3.879 1.681 -0.816) 4.305 6.090 ( 5.082 -4.373 -2.334) 7.099 6.301 ( 1.912 4.225 -0.313) 4.648 6.367 ( 3.433 -2.113 -2.181) 4.583 6.533 ( -2.657 4.838 2.052) 5.889 6.654 ( -0.886 -3.220 -0.361) 3.359 6.875 ( -6.021 0.526 -0.132) 6.046 6.944 ( -4.153 -4.162 -2.262) 6.300 7.066 ( 0.381 3.879 2.501) 4.631 7.114 ( 1.054 0.295 0.840) 1.379 7.249 ( -0.830 2.119 1.548) 2.752 7.343 ( -0.555 -4.949 -0.863) 5.054 7.659 ( -3.645 6.923 1.976) 8.069 7.784 ( 0.099 -1.474 -1.682) 2.239 7.836 ( 1.259 -1.907 0.056) 2.286 7.876 ( 1.175 -2.730 -1.743) 3.445 8.227 ( -0.738 0.810 1.111) 1.560 8.249 ( -0.212 -0.940 0.077) 0.967 8.289 ( 2.307 1.837 -0.596) 3.008 8.325 ( 1.204 -1.285 -0.167) 1.769 8.537 ( 0.206 3.605 0.518) 3.648 8.600 ( -0.359 -1.233 -2.181) 2.531 8.709 ( -2.850 0.784 -2.670) 3.983 8.748 ( -3.604 -3.424 -0.909) 5.053 8.849 ( 2.614 1.314 0.646) 2.996 8.903 ( 2.538 -2.484 -0.231) 3.559 9.077 ( 2.809 4.684 -0.906) 5.537 9.161 ( 3.762 -2.767 -1.892) 5.038 9.574 ( -1.283 3.963 2.503) 4.860 9.671 ( -0.116 -4.556 0.679) 4.608 9.834 ( 1.858 2.646 -1.577) 3.598 9.877 ( 2.158 -1.256 -1.031) 2.702 ======================= Grid point 89 (57/74) ======================= q-point: (-0.25 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( -6.104 0.912 6.165) 8.723 0.656 ( -7.520 -1.243 2.739) 8.100 0.821 ( -3.558 2.621 4.434) 6.260 0.869 ( -0.300 0.750 0.466) 0.933 0.896 ( -2.648 -1.166 3.770) 4.752 0.923 ( -1.903 -2.082 -2.753) 3.942 0.997 ( 0.947 -1.290 0.680) 1.738 1.010 ( -1.508 -1.391 2.606) 3.317 1.124 ( 0.207 1.826 0.023) 1.838 1.154 ( -0.694 -0.794 -1.104) 1.527 1.263 ( 2.545 2.678 0.721) 3.764 1.287 ( 3.489 -0.158 3.790) 5.153 1.384 ( 0.427 0.908 3.452) 3.594 1.445 ( -1.406 -0.035 0.385) 1.458 1.465 ( 0.494 -1.459 2.069) 2.579 1.474 ( -1.760 -0.967 -0.722) 2.134 1.554 ( 0.165 2.315 2.344) 3.299 1.627 ( -0.824 -1.988 1.205) 2.467 1.712 ( 5.023 -0.519 -2.113) 5.474 1.742 ( 5.698 -2.547 -4.032) 7.431 1.830 ( -0.506 3.197 -0.548) 3.283 1.863 ( 0.293 -0.538 -1.091) 1.251 1.891 ( 1.159 1.911 3.986) 4.570 1.905 ( 1.859 0.973 0.116) 2.102 1.928 ( 3.536 2.083 0.469) 4.130 2.019 ( -1.030 -2.615 1.035) 2.995 2.121 ( -0.634 0.326 1.780) 1.918 2.127 ( -0.597 -0.033 1.380) 1.504 2.240 ( -0.942 2.288 0.289) 2.491 2.280 ( 1.977 3.846 -1.465) 4.566 2.295 ( 0.726 -1.885 -0.470) 2.074 2.329 ( -0.428 -0.421 -1.351) 1.478 2.408 ( 3.181 0.261 -0.568) 3.242 2.542 ( 1.755 -8.744 3.210) 9.479 2.792 ( -3.550 2.564 -1.128) 4.522 2.852 ( -3.855 -2.279 -1.288) 4.660 2.986 ( -3.525 2.745 1.925) 4.864 3.052 ( -2.782 -1.848 4.212) 5.375 3.167 ( -3.092 0.744 0.355) 3.200 3.199 ( -0.424 3.907 0.903) 4.032 3.231 ( -2.338 -2.819 -0.977) 3.791 3.307 ( -0.891 -3.467 -0.868) 3.683 3.444 ( -1.664 3.075 0.439) 3.524 3.510 ( -0.968 -2.974 1.716) 3.567 3.724 ( -2.144 7.345 -0.697) 7.683 3.752 ( -0.978 3.125 4.572) 5.624 3.812 ( -0.561 -1.432 5.210) 5.432 3.894 ( -0.680 -5.893 -1.096) 6.033 5.684 ( 3.965 -0.072 0.699) 4.027 5.697 ( 4.322 -0.995 1.539) 4.694 5.768 ( 2.648 2.880 -3.013) 4.938 5.863 ( 0.228 -5.992 -3.169) 6.783 6.122 ( 7.081 2.736 -0.725) 7.626 6.172 ( 3.720 -1.449 -1.209) 4.171 6.340 ( 0.381 3.570 -0.534) 3.630 6.351 ( -3.299 5.125 -2.864) 6.735 6.544 ( 0.960 0.055 2.604) 2.776 6.647 ( 0.477 -2.682 1.073) 2.927 6.741 ( -4.348 -1.082 -1.245) 4.650 6.829 ( -4.412 -6.023 -0.607) 7.490 7.069 ( -1.832 3.912 1.088) 4.455 7.146 ( -1.264 -1.862 2.529) 3.386 7.260 ( 1.844 1.955 -0.492) 2.732 7.325 ( 0.668 -3.040 -1.939) 3.668 7.623 ( -1.563 6.624 1.463) 6.962 7.739 ( -1.637 0.175 -3.845) 4.183 7.818 ( -2.199 -2.353 -1.662) 3.624 7.866 ( -0.865 -3.035 -2.393) 3.961 8.223 ( -1.856 0.001 1.881) 2.642 8.235 ( -0.948 -1.139 1.076) 1.831 8.332 ( 2.767 3.387 -0.556) 4.408 8.384 ( 3.904 -0.972 1.440) 4.274 8.544 ( -2.055 1.675 -1.410) 3.002 8.566 ( 1.236 1.183 -1.335) 2.170 8.650 ( -1.464 -0.576 -1.639) 2.271 8.697 ( -0.519 -3.583 0.525) 3.658 8.889 ( 0.528 1.770 1.629) 2.463 8.945 ( 1.840 -2.746 0.405) 3.331 9.140 ( 4.556 4.652 -1.593) 6.703 9.220 ( 4.046 -2.562 -2.339) 5.329 9.567 ( -1.427 4.384 1.521) 4.855 9.670 ( -0.041 -4.574 -0.774) 4.639 9.841 ( 1.097 2.577 -3.014) 4.115 9.885 ( 0.402 -1.417 -2.342) 2.767 ======================= Grid point 90 (58/74) ======================= q-point: (-0.12 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 1.214 0.389 7.766) 7.870 0.648 ( -0.141 0.097 8.144) 8.146 0.813 ( -0.652 3.602 3.606) 5.138 0.845 ( -2.659 0.990 2.386) 3.708 0.878 ( -0.879 0.741 2.323) 2.592 0.912 ( -0.690 -2.267 1.487) 2.798 1.002 ( -0.871 0.064 3.132) 3.251 1.058 ( 0.270 -4.621 4.862) 6.714 1.105 ( -0.131 1.046 0.645) 1.236 1.151 ( 0.730 -1.463 -0.905) 1.869 1.322 ( -2.759 1.895 3.442) 4.801 1.368 ( 3.025 0.684 1.894) 3.634 1.410 ( -1.103 -0.934 0.579) 1.557 1.439 ( 0.292 -1.336 -1.765) 2.232 1.477 ( 3.060 3.052 3.843) 5.783 1.522 ( 2.862 -0.247 4.142) 5.041 1.589 ( 2.024 1.347 4.691) 5.284 1.638 ( 1.339 -1.335 1.449) 2.382 1.737 ( 2.318 1.257 -3.979) 4.774 1.778 ( -1.480 2.430 -3.470) 4.487 1.802 ( 2.695 -1.508 -5.094) 5.957 1.824 ( -0.437 -2.205 -1.923) 2.959 1.931 ( -0.399 2.368 2.888) 3.756 1.944 ( 0.840 3.079 1.421) 3.493 2.001 ( -2.026 -0.996 1.703) 2.827 2.030 ( 1.830 -1.870 3.377) 4.272 2.133 ( 0.299 -0.683 1.067) 1.302 2.142 ( 0.692 -1.380 1.105) 1.898 2.239 ( 0.641 1.805 0.027) 1.916 2.287 ( 0.774 -1.012 -1.553) 2.009 2.309 ( 0.064 1.211 -0.406) 1.279 2.337 ( 2.797 0.323 -0.775) 2.920 2.470 ( 2.566 1.456 2.145) 3.648 2.599 ( 1.185 -7.767 3.101) 8.447 2.729 ( -1.022 2.500 -1.435) 3.058 2.769 ( -2.923 0.027 -1.812) 3.439 2.912 ( -5.047 3.087 0.493) 5.937 3.013 ( -5.262 -5.558 2.161) 7.953 3.102 ( -4.346 0.575 1.813) 4.744 3.151 ( -4.565 -2.214 1.422) 5.269 3.203 ( -0.651 2.724 -3.323) 4.346 3.272 ( -1.265 -2.621 -3.418) 4.489 3.391 ( -3.040 4.143 0.104) 5.140 3.454 ( -3.678 -1.119 -1.461) 4.113 3.746 ( 2.637 4.510 2.688) 5.875 3.776 ( -0.863 3.384 4.376) 5.599 3.844 ( -0.468 -1.966 4.236) 4.693 3.894 ( 1.059 -4.591 0.192) 4.716 5.727 ( 0.295 0.661 -1.520) 1.684 5.741 ( 0.639 -0.308 -0.999) 1.226 5.856 ( 6.062 0.502 -0.515) 6.104 5.914 ( 5.438 -3.808 -0.174) 6.641 6.154 ( -2.464 3.313 -1.148) 4.286 6.214 ( -4.447 2.420 -0.365) 5.076 6.233 ( 2.754 -0.151 -1.510) 3.144 6.294 ( -3.524 -1.424 -0.766) 3.877 6.581 ( 0.415 3.227 3.812) 5.012 6.697 ( 3.588 -0.024 2.098) 4.157 6.730 ( 1.368 -1.589 1.567) 2.618 6.829 ( 2.665 -4.561 1.562) 5.509 7.038 ( -1.425 2.331 -1.120) 2.953 7.109 ( -3.470 -3.092 0.454) 4.670 7.310 ( 4.356 1.773 -1.455) 4.923 7.343 ( 2.616 -0.526 -1.504) 3.063 7.613 ( -0.051 3.817 -1.369) 4.055 7.676 ( -0.479 3.258 -4.332) 5.442 7.734 ( -4.931 -2.841 -1.534) 5.894 7.791 ( -4.336 -3.265 -3.242) 6.322 8.188 ( -2.801 1.579 1.536) 3.564 8.238 ( -1.168 -3.003 2.488) 4.071 8.387 ( 3.637 4.108 0.148) 5.489 8.473 ( 3.637 -1.204 1.402) 4.080 8.490 ( -0.970 1.176 -2.857) 3.238 8.564 ( -1.794 -3.776 1.498) 4.441 8.659 ( 2.517 2.597 0.298) 3.629 8.718 ( 2.185 -1.342 -0.395) 2.595 8.905 ( -0.673 2.303 2.848) 3.724 8.982 ( 0.994 -4.490 1.768) 4.927 9.197 ( 3.302 3.618 -3.041) 5.765 9.254 ( 2.006 -1.869 -3.222) 4.231 9.549 ( -1.598 4.664 0.900) 5.012 9.652 ( -0.919 -4.265 -1.525) 4.622 9.822 ( 0.280 2.139 -4.137) 4.666 9.857 ( -0.097 -1.085 -3.756) 3.911 ======================= Grid point 99 (59/74) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -2.217 0.000 2.587) 3.406 0.806 ( 0.025 0.000 2.876) 2.876 0.844 ( 0.044 0.000 3.425) 3.426 0.877 ( -1.426 0.000 0.383) 1.476 0.898 ( 2.048 0.000 -1.109) 2.329 0.900 ( -0.522 0.000 -2.539) 2.592 1.111 ( -1.403 0.000 5.748) 5.917 1.170 ( -0.501 0.000 0.567) 0.756 1.212 ( 4.718 0.000 2.023) 5.134 1.273 ( -2.303 0.000 -3.269) 3.999 1.365 ( -2.103 0.000 3.354) 3.958 1.377 ( -0.743 0.000 4.081) 4.148 1.390 ( 2.701 0.000 -1.224) 2.966 1.463 ( 3.462 0.000 -5.126) 6.186 1.477 ( -2.099 0.000 3.424) 4.016 1.532 ( -1.254 0.000 -0.443) 1.330 1.658 ( 1.251 0.000 0.449) 1.329 1.668 ( -2.059 0.000 -0.207) 2.069 1.707 ( -2.854 0.000 0.947) 3.007 1.763 ( 3.527 0.000 -4.723) 5.894 1.826 ( 0.339 0.000 2.507) 2.530 1.844 ( 0.647 0.000 0.802) 1.030 1.949 ( -0.529 0.000 0.299) 0.608 1.984 ( 4.643 0.000 -2.539) 5.292 2.055 ( 1.848 0.000 2.564) 3.161 2.091 ( -0.680 0.000 -1.174) 1.357 2.152 ( -1.190 0.000 4.339) 4.499 2.231 ( 0.166 0.000 1.974) 1.981 2.243 ( -0.005 0.000 -3.163) 3.163 2.257 ( 0.285 0.000 -2.010) 2.030 2.329 ( -1.429 0.000 2.454) 2.839 2.372 ( 3.488 0.000 -1.570) 3.825 2.566 ( 0.718 0.000 3.272) 3.350 2.619 ( 0.255 0.000 -2.339) 2.353 2.636 ( 0.271 0.000 2.848) 2.861 2.732 ( -2.548 0.000 -4.790) 5.426 2.916 ( -0.325 0.000 7.450) 7.457 2.950 ( -7.209 0.000 0.662) 7.240 2.976 ( 3.105 0.000 -2.436) 3.947 3.060 ( -3.078 0.000 -6.418) 7.118 3.215 ( -1.084 0.000 3.114) 3.298 3.254 ( 0.761 0.000 -0.705) 1.037 3.285 ( -2.293 0.000 2.845) 3.654 3.342 ( 1.848 0.000 -2.821) 3.373 3.824 ( -1.562 0.000 3.270) 3.624 3.856 ( 1.643 0.000 0.524) 1.725 3.931 ( -2.257 0.000 0.871) 2.419 3.938 ( 1.957 0.000 -0.573) 2.040 5.650 ( -2.715 0.000 -0.199) 2.722 5.662 ( 1.081 0.000 -1.387) 1.759 5.877 ( -0.730 0.000 1.288) 1.481 5.923 ( -1.123 0.000 -3.048) 3.248 6.127 ( 1.286 0.000 2.048) 2.418 6.183 ( 2.575 0.000 -3.065) 4.003 6.399 ( -0.881 0.000 2.309) 2.471 6.409 ( 4.393 0.000 1.591) 4.672 6.637 ( -2.745 0.000 1.693) 3.225 6.662 ( 4.155 0.000 -1.121) 4.303 6.815 ( 3.651 0.000 0.318) 3.665 6.850 ( -5.680 0.000 -2.968) 6.408 7.020 ( 3.560 0.000 3.625) 5.080 7.058 ( -5.467 0.000 -0.676) 5.508 7.342 ( 0.497 0.000 -1.167) 1.269 7.346 ( 2.887 0.000 -1.175) 3.117 7.531 ( 7.828 0.000 -1.203) 7.920 7.534 ( -7.540 0.000 -1.014) 7.608 7.661 ( -6.500 0.000 0.235) 6.504 7.687 ( 3.991 0.000 -2.007) 4.467 8.217 ( -1.579 0.000 4.908) 5.156 8.318 ( 1.019 0.000 -4.956) 5.060 8.349 ( -4.428 0.000 4.056) 6.005 8.434 ( 5.565 0.000 -3.967) 6.834 8.548 ( 1.799 0.000 2.010) 2.697 8.585 ( -1.117 0.000 -1.511) 1.879 8.711 ( -4.394 0.000 3.455) 5.590 8.768 ( 4.973 0.000 -2.163) 5.423 9.022 ( 0.254 0.000 6.836) 6.841 9.084 ( -3.665 0.000 1.530) 3.972 9.122 ( 3.583 0.000 -2.549) 4.397 9.154 ( -0.159 0.000 -5.780) 5.782 9.562 ( 0.227 0.000 3.778) 3.784 9.640 ( -0.689 0.000 -4.158) 4.215 9.674 ( -1.524 0.000 1.618) 2.223 9.735 ( 0.664 0.000 -4.217) 4.269 ======================= Grid point 100 (60/74) ======================= q-point: ( 0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -3.472 0.000 1.853) 3.935 0.813 ( -2.135 0.000 0.736) 2.258 0.844 ( -1.015 0.000 0.595) 1.177 0.861 ( -1.070 0.000 3.727) 3.878 0.868 ( -0.853 0.000 -1.899) 2.082 0.926 ( 1.479 0.000 -0.616) 1.603 1.107 ( -4.030 0.000 5.345) 6.694 1.120 ( -4.801 0.000 -2.882) 5.600 1.203 ( 1.372 0.000 -3.573) 3.828 1.264 ( -1.309 0.000 0.511) 1.405 1.335 ( -2.107 0.000 -0.464) 2.158 1.410 ( 2.080 0.000 2.580) 3.314 1.421 ( -0.201 0.000 -2.161) 2.170 1.497 ( 3.839 0.000 -3.438) 5.153 1.499 ( -1.804 0.000 6.039) 6.303 1.507 ( 0.792 0.000 -0.599) 0.993 1.638 ( -4.375 0.000 -0.398) 4.393 1.666 ( 2.891 0.000 0.297) 2.906 1.700 ( -1.806 0.000 0.123) 1.810 1.781 ( -0.766 0.000 -3.925) 3.999 1.825 ( -0.066 0.000 -3.012) 3.013 1.833 ( 2.120 0.000 2.298) 3.126 1.937 ( 0.361 0.000 -1.413) 1.458 1.994 ( 0.403 0.000 -4.956) 4.973 2.043 ( -0.792 0.000 -1.905) 2.063 2.074 ( -1.650 0.000 1.134) 2.002 2.167 ( -1.527 0.000 4.952) 5.182 2.198 ( -0.465 0.000 -3.519) 3.549 2.244 ( -0.096 0.000 -1.380) 1.384 2.254 ( 0.766 0.000 1.470) 1.657 2.300 ( -2.333 0.000 1.147) 2.600 2.387 ( 0.243 0.000 -4.365) 4.372 2.586 ( -0.140 0.000 3.460) 3.463 2.587 ( -1.567 0.000 -3.588) 3.915 2.679 ( 0.827 0.000 -2.693) 2.817 2.683 ( -3.922 0.000 2.381) 4.588 2.910 ( 1.704 0.000 7.207) 7.406 2.975 ( 0.687 0.000 -3.295) 3.366 3.049 ( 5.239 0.000 9.132) 10.528 3.104 ( 8.006 0.000 0.506) 8.022 3.231 ( -0.058 0.000 3.390) 3.391 3.264 ( 1.576 0.000 -1.680) 2.304 3.279 ( -0.831 0.000 2.889) 3.006 3.357 ( 2.318 0.000 -2.136) 3.152 3.807 ( -3.181 0.000 1.539) 3.534 3.865 ( 0.077 0.000 -1.188) 1.191 3.878 ( -3.500 0.000 1.087) 3.665 3.960 ( 0.400 0.000 -0.196) 0.446 5.629 ( -0.058 0.000 2.000) 2.001 5.682 ( 0.258 0.000 0.234) 0.348 5.835 ( -4.739 0.000 1.699) 5.034 5.862 ( -1.083 0.000 -0.440) 1.169 6.217 ( 5.725 0.000 -1.339) 5.879 6.245 ( 5.066 0.000 -3.974) 6.439 6.314 ( -6.339 0.000 -0.934) 6.407 6.422 ( -1.361 0.000 -4.147) 4.365 6.605 ( -1.154 0.000 -0.536) 1.272 6.697 ( -0.614 0.000 -1.123) 1.280 6.769 ( -1.125 0.000 -0.919) 1.453 6.873 ( 0.148 0.000 3.483) 3.486 7.028 ( 3.488 0.000 -1.473) 3.786 7.138 ( 3.755 0.000 4.639) 5.968 7.297 ( -1.899 0.000 -3.909) 4.346 7.362 ( -1.398 0.000 0.012) 1.398 7.386 ( -3.021 0.000 -1.815) 3.524 7.552 ( -3.143 0.000 1.397) 3.440 7.697 ( 6.719 0.000 1.619) 6.911 7.775 ( 4.708 0.000 0.227) 4.713 8.240 ( -1.415 0.000 4.364) 4.587 8.287 ( -4.427 0.000 3.631) 5.726 8.298 ( 1.161 0.000 -3.800) 3.973 8.446 ( 0.265 0.000 -3.661) 3.671 8.553 ( -0.462 0.000 -2.199) 2.247 8.617 ( 3.223 0.000 -0.550) 3.269 8.655 ( -3.592 0.000 1.971) 4.097 8.817 ( 2.559 0.000 -2.811) 3.801 9.012 ( -5.271 0.000 1.699) 5.538 9.077 ( -1.246 0.000 -5.847) 5.978 9.080 ( -0.717 0.000 6.184) 6.225 9.158 ( 1.690 0.000 -2.204) 2.777 9.606 ( -0.115 0.000 3.571) 3.573 9.608 ( 1.215 0.000 -3.099) 3.328 9.680 ( -0.097 0.000 4.313) 4.314 9.720 ( 0.930 0.000 -2.594) 2.755 ======================= Grid point 101 (61/74) ======================= q-point: ( 0.25 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -3.387 0.000 2.899) 4.458 0.766 ( 0.005 0.000 -1.617) 1.617 0.829 ( -1.861 0.000 0.375) 1.898 0.869 ( 2.044 0.000 -0.359) 2.075 0.877 ( -1.072 0.000 3.584) 3.741 0.929 ( -0.449 0.000 -0.511) 0.680 1.032 ( -1.234 0.000 -2.031) 2.376 1.071 ( -4.639 0.000 5.467) 7.170 1.177 ( -5.279 0.000 -3.167) 6.156 1.224 ( 3.520 0.000 -3.193) 4.752 1.305 ( -2.012 0.000 1.317) 2.405 1.360 ( -2.216 0.000 -4.313) 4.849 1.468 ( -2.543 0.000 3.227) 4.108 1.499 ( 0.753 0.000 3.365) 3.448 1.523 ( 0.070 0.000 -1.927) 1.928 1.533 ( 0.965 0.000 0.796) 1.251 1.555 ( -3.436 0.000 0.421) 3.462 1.634 ( -5.262 0.000 -6.501) 8.364 1.650 ( -0.785 0.000 -0.902) 1.195 1.742 ( 3.872 0.000 -0.625) 3.922 1.814 ( 0.766 0.000 -4.181) 4.250 1.898 ( 1.726 0.000 -0.912) 1.952 1.938 ( 0.412 0.000 -2.020) 2.061 1.964 ( 1.277 0.000 -3.637) 3.855 2.052 ( 1.360 0.000 -1.211) 1.821 2.054 ( -1.815 0.000 3.007) 3.512 2.166 ( 0.356 0.000 -4.051) 4.067 2.183 ( -1.147 0.000 3.204) 3.403 2.221 ( -1.246 0.000 -2.812) 3.076 2.281 ( -0.315 0.000 1.316) 1.353 2.291 ( 0.498 0.000 1.089) 1.197 2.299 ( -2.671 0.000 -5.090) 5.748 2.494 ( -4.731 0.000 -4.248) 6.359 2.582 ( -5.027 0.000 5.009) 7.096 2.664 ( 1.001 0.000 0.182) 1.017 2.684 ( 3.195 0.000 4.091) 5.191 2.996 ( -0.266 0.000 6.863) 6.868 3.018 ( 4.573 0.000 -1.202) 4.728 3.164 ( -1.320 0.000 4.544) 4.732 3.216 ( 3.677 0.000 -2.852) 4.654 3.293 ( 2.076 0.000 2.086) 2.943 3.302 ( 3.411 0.000 -1.141) 3.597 3.361 ( 5.739 0.000 8.016) 9.858 3.409 ( 4.625 0.000 0.333) 4.637 3.721 ( -5.135 0.000 -1.180) 5.269 3.849 ( -0.213 0.000 -1.533) 1.548 3.852 ( -1.894 0.000 3.901) 4.336 3.953 ( -0.646 0.000 -0.482) 0.806 5.661 ( -1.593 0.000 0.416) 1.646 5.671 ( 0.855 0.000 2.550) 2.690 5.756 ( -3.954 0.000 1.710) 4.308 5.870 ( 0.424 0.000 -2.412) 2.449 6.117 ( -8.074 0.000 -2.132) 8.350 6.249 ( 0.182 0.000 -3.968) 3.972 6.334 ( 3.159 0.000 -3.814) 4.953 6.349 ( -1.848 0.000 -3.529) 3.983 6.626 ( 3.594 0.000 2.399) 4.321 6.646 ( -2.282 0.000 0.348) 2.308 6.725 ( -2.555 0.000 -3.360) 4.221 6.886 ( -2.815 0.000 2.332) 3.655 7.080 ( 4.596 0.000 -2.550) 5.255 7.224 ( 1.115 0.000 5.626) 5.736 7.251 ( 1.163 0.000 -4.747) 4.888 7.331 ( -1.491 0.000 1.920) 2.431 7.435 ( 7.180 0.000 -0.469) 7.195 7.540 ( 0.021 0.000 1.861) 1.861 7.820 ( 4.509 0.000 1.592) 4.782 7.844 ( 1.720 0.000 1.507) 2.287 8.204 ( -3.100 0.000 1.755) 3.563 8.287 ( -0.098 0.000 -1.691) 1.694 8.303 ( -0.461 0.000 4.948) 4.970 8.405 ( -0.753 0.000 -3.455) 3.536 8.525 ( -0.042 0.000 -2.700) 2.701 8.608 ( 0.104 0.000 -1.862) 1.865 8.655 ( 0.570 0.000 -0.846) 1.020 8.818 ( -0.072 0.000 -1.414) 1.415 8.926 ( -4.812 0.000 0.614) 4.851 9.006 ( -1.102 0.000 -4.810) 4.935 9.099 ( -2.609 0.000 4.788) 5.453 9.151 ( -0.145 0.000 -2.402) 2.407 9.613 ( -2.039 0.000 3.692) 4.217 9.629 ( 3.203 0.000 -2.335) 3.963 9.725 ( 1.511 0.000 -0.875) 1.746 9.741 ( 1.069 0.000 5.223) 5.331 ======================= Grid point 102 (62/74) ======================= q-point: ( 0.38 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 2.703 0.000 7.249) 7.736 0.787 ( -1.507 0.000 -0.533) 1.599 0.828 ( 3.684 0.000 2.907) 4.693 0.875 ( -2.009 0.000 2.009) 2.841 0.919 ( 0.568 0.000 -1.472) 1.578 0.925 ( 5.118 0.000 -0.439) 5.137 1.013 ( -4.134 0.000 -0.413) 4.155 1.023 ( 0.745 0.000 -0.873) 1.148 1.092 ( -2.531 0.000 3.883) 4.635 1.224 ( -4.557 0.000 -6.661) 8.071 1.275 ( -2.657 0.000 1.457) 3.030 1.289 ( 4.266 0.000 -3.900) 5.780 1.430 ( -3.747 0.000 5.365) 6.544 1.446 ( -2.693 0.000 -0.054) 2.694 1.494 ( -1.667 0.000 -0.272) 1.689 1.554 ( -0.194 0.000 1.325) 1.339 1.563 ( 0.314 0.000 -6.212) 6.220 1.586 ( 1.971 0.000 2.181) 2.940 1.608 ( -3.352 0.000 -3.055) 4.536 1.779 ( 0.465 0.000 -0.502) 0.685 1.790 ( -0.451 0.000 -2.111) 2.159 1.889 ( -1.928 0.000 -2.577) 3.219 1.897 ( -0.214 0.000 -2.169) 2.179 1.928 ( -4.301 0.000 -5.088) 6.662 1.995 ( 1.556 0.000 -6.266) 6.456 2.040 ( -3.447 0.000 2.827) 4.458 2.155 ( -2.909 0.000 0.085) 2.910 2.162 ( 3.902 0.000 -4.189) 5.725 2.182 ( 0.345 0.000 -1.571) 1.608 2.260 ( -3.508 0.000 0.719) 3.581 2.273 ( 1.438 0.000 -1.842) 2.336 2.283 ( -2.285 0.000 1.623) 2.803 2.433 ( 2.550 0.000 -1.221) 2.827 2.530 ( -4.929 0.000 4.133) 6.432 2.753 ( 5.824 0.000 3.996) 7.063 2.813 ( 4.047 0.000 6.366) 7.543 3.035 ( -0.567 0.000 5.162) 5.193 3.086 ( 3.740 0.000 -1.501) 4.030 3.151 ( -3.333 0.000 4.042) 5.239 3.236 ( 2.518 0.000 -3.809) 4.566 3.322 ( -1.400 0.000 1.621) 2.141 3.329 ( 1.397 0.000 -2.738) 3.073 3.494 ( 2.585 0.000 0.653) 2.666 3.523 ( 2.786 0.000 5.453) 6.124 3.639 ( -1.544 0.000 0.653) 1.676 3.836 ( 0.113 0.000 -1.795) 1.798 3.865 ( -1.318 0.000 4.908) 5.082 3.936 ( -0.192 0.000 -0.684) 0.710 5.632 ( -2.967 0.000 -1.640) 3.390 5.659 ( 1.011 0.000 0.350) 1.070 5.765 ( -1.684 0.000 4.212) 4.536 5.778 ( -3.954 0.000 -7.163) 8.182 6.004 ( -1.059 0.000 -0.668) 1.252 6.213 ( -3.083 0.000 -2.852) 4.200 6.273 ( -2.274 0.000 0.811) 2.414 6.323 ( 0.440 0.000 -3.811) 3.836 6.622 ( -4.494 0.000 -1.360) 4.696 6.626 ( 0.127 0.000 -2.791) 2.794 6.776 ( 7.745 0.000 3.252) 8.401 6.881 ( 1.538 0.000 3.727) 4.032 7.112 ( -0.716 0.000 -2.142) 2.258 7.209 ( -2.002 0.000 -4.559) 4.979 7.294 ( 0.549 0.000 5.249) 5.278 7.345 ( 2.526 0.000 -0.448) 2.565 7.586 ( 6.600 0.000 2.186) 6.952 7.592 ( 4.421 0.000 0.738) 4.483 7.867 ( -0.775 0.000 1.675) 1.846 7.888 ( 1.605 0.000 0.569) 1.703 8.186 ( -0.261 0.000 1.684) 1.704 8.257 ( -1.595 0.000 -0.509) 1.674 8.307 ( -2.715 0.000 2.241) 3.521 8.364 ( -0.534 0.000 -3.515) 3.555 8.520 ( 0.989 0.000 -0.251) 1.020 8.607 ( 1.431 0.000 -3.720) 3.985 8.668 ( 2.553 0.000 -0.207) 2.562 8.800 ( -2.115 0.000 1.555) 2.625 8.851 ( -1.837 0.000 -2.026) 2.735 8.947 ( -1.473 0.000 -3.396) 3.702 9.075 ( -3.712 0.000 3.569) 5.149 9.116 ( -0.489 0.000 -3.030) 3.069 9.608 ( -2.203 0.000 4.090) 4.645 9.664 ( 2.821 0.000 -3.085) 4.180 9.768 ( 3.147 0.000 0.293) 3.160 9.792 ( -0.306 0.000 4.103) 4.114 ======================= Grid point 103 (63/74) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -1.550 0.000 3.007) 3.383 0.822 ( -1.538 0.000 -1.379) 2.066 0.882 ( -0.369 0.000 1.396) 1.444 0.898 ( 2.903 0.000 3.408) 4.476 0.928 ( 1.507 0.000 0.018) 1.507 0.991 ( 1.311 0.000 2.531) 2.850 1.004 ( -0.334 0.000 -3.048) 3.066 1.044 ( -0.436 0.000 -2.183) 2.226 1.109 ( -2.739 0.000 5.218) 5.894 1.133 ( 6.540 0.000 -0.313) 6.547 1.227 ( -3.677 0.000 3.165) 4.852 1.363 ( 5.850 0.000 -5.582) 8.086 1.398 ( -7.189 0.000 0.818) 7.236 1.443 ( 0.287 0.000 1.898) 1.920 1.462 ( -2.675 0.000 -7.633) 8.089 1.464 ( -1.345 0.000 1.806) 2.252 1.488 ( 0.345 0.000 0.240) 0.420 1.541 ( -0.887 0.000 -1.408) 1.664 1.652 ( 2.841 0.000 1.636) 3.278 1.683 ( -3.765 0.000 -1.948) 4.239 1.815 ( 0.521 0.000 3.277) 3.318 1.851 ( -0.114 0.000 -1.582) 1.586 1.853 ( -0.100 0.000 -2.225) 2.227 1.875 ( -0.320 0.000 -1.684) 1.714 1.956 ( -7.456 0.000 1.996) 7.718 2.039 ( 6.942 0.000 -5.784) 9.036 2.120 ( -2.045 0.000 2.091) 2.924 2.177 ( 0.588 0.000 -2.281) 2.355 2.183 ( -4.087 0.000 1.106) 4.234 2.212 ( 4.789 0.000 -2.665) 5.480 2.268 ( -1.376 0.000 1.134) 1.783 2.287 ( 1.236 0.000 -1.021) 1.604 2.469 ( -5.008 0.000 2.992) 5.834 2.505 ( 4.711 0.000 -0.370) 4.726 2.889 ( -1.418 0.000 3.108) 3.416 2.900 ( 5.208 0.000 1.968) 5.567 3.077 ( -1.553 0.000 3.764) 4.072 3.131 ( 2.364 0.000 -1.804) 2.973 3.137 ( -1.020 0.000 5.361) 5.457 3.232 ( 0.078 0.000 -4.017) 4.018 3.275 ( -3.821 0.000 1.475) 4.096 3.319 ( 1.619 0.000 -2.860) 3.287 3.525 ( -2.732 0.000 1.234) 2.998 3.527 ( 1.032 0.000 0.950) 1.403 3.711 ( 3.055 0.000 4.821) 5.707 3.789 ( -3.124 0.000 -2.987) 4.322 3.880 ( -1.790 0.000 4.650) 4.982 3.943 ( 1.488 0.000 -1.513) 2.122 5.594 ( 0.453 0.000 -0.143) 0.475 5.632 ( -1.902 0.000 -3.913) 4.351 5.724 ( -3.548 0.000 0.734) 3.623 5.743 ( 5.417 0.000 -1.588) 5.645 6.060 ( 4.741 0.000 1.329) 4.924 6.103 ( -4.116 0.000 -3.034) 5.114 6.256 ( -2.451 0.000 2.725) 3.665 6.312 ( 1.834 0.000 -2.986) 3.504 6.550 ( -2.744 0.000 1.377) 3.070 6.604 ( 1.316 0.000 -3.779) 4.002 6.945 ( 6.054 0.000 4.082) 7.302 6.997 ( 4.935 0.000 3.793) 6.224 7.019 ( -5.635 0.000 -1.915) 5.951 7.095 ( -4.935 0.000 -4.788) 6.876 7.327 ( -1.596 0.000 3.997) 4.304 7.383 ( 1.711 0.000 -1.735) 2.437 7.663 ( -1.441 0.000 1.440) 2.038 7.688 ( 4.221 0.000 -0.945) 4.325 7.871 ( 0.827 0.000 1.328) 1.565 7.892 ( -0.388 0.000 -1.036) 1.107 8.219 ( 1.956 0.000 0.767) 2.101 8.233 ( -0.422 0.000 -0.649) 0.774 8.274 ( -1.799 0.000 2.011) 2.698 8.323 ( -0.139 0.000 -2.670) 2.674 8.533 ( -0.901 0.000 2.261) 2.434 8.589 ( 0.062 0.000 -3.103) 3.103 8.741 ( 4.884 0.000 -0.420) 4.902 8.741 ( -3.946 0.000 -0.303) 3.958 8.855 ( 2.033 0.000 0.257) 2.049 8.882 ( -2.571 0.000 -2.421) 3.532 9.042 ( -2.287 0.000 2.949) 3.732 9.102 ( 2.326 0.000 -2.996) 3.793 9.604 ( -2.096 0.000 3.948) 4.470 9.682 ( 2.478 0.000 -3.692) 4.447 9.801 ( -1.774 0.000 2.199) 2.825 9.829 ( 3.085 0.000 -0.663) 3.156 ======================= Grid point 104 (64/74) ======================= q-point: (-0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -3.387 0.000 6.104) 6.981 0.786 ( -2.272 0.000 -0.576) 2.344 0.861 ( -0.069 0.000 -1.097) 1.099 0.902 ( -2.170 0.000 -0.148) 2.175 0.920 ( -4.395 0.000 -3.576) 5.667 0.953 ( -0.396 0.000 -4.534) 4.551 1.010 ( -2.685 0.000 0.764) 2.792 1.014 ( 2.105 0.000 -0.628) 2.197 1.087 ( 4.095 0.000 5.837) 7.130 1.204 ( -4.585 0.000 3.990) 6.078 1.212 ( 0.966 0.000 -5.480) 5.565 1.328 ( 2.597 0.000 -3.832) 4.629 1.369 ( -0.023 0.000 8.864) 8.864 1.470 ( 0.290 0.000 1.801) 1.824 1.471 ( -0.092 0.000 0.709) 0.715 1.508 ( 2.062 0.000 -1.391) 2.488 1.550 ( 1.914 0.000 2.108) 2.848 1.556 ( 5.737 0.000 1.481) 5.925 1.641 ( 1.162 0.000 -3.717) 3.895 1.764 ( 6.241 0.000 1.994) 6.552 1.813 ( -4.563 0.000 -0.109) 4.565 1.846 ( 0.909 0.000 -0.044) 0.910 1.848 ( 0.918 0.000 1.209) 1.518 1.851 ( 0.173 0.000 2.194) 2.201 1.886 ( -0.600 0.000 3.176) 3.232 2.091 ( -3.554 0.000 2.916) 4.597 2.102 ( 3.718 0.000 -3.920) 5.403 2.150 ( -0.950 0.000 1.678) 1.928 2.172 ( 1.442 0.000 -1.452) 2.046 2.248 ( -1.615 0.000 1.020) 1.911 2.286 ( 2.756 0.000 -1.591) 3.182 2.308 ( 3.596 0.000 -0.969) 3.724 2.402 ( -4.041 0.000 1.778) 4.415 2.586 ( 4.555 0.000 -1.159) 4.700 2.825 ( -5.049 0.000 -2.266) 5.534 2.925 ( -2.459 0.000 -4.198) 4.865 3.042 ( -3.846 0.000 2.833) 4.776 3.110 ( -0.555 0.000 -2.441) 2.503 3.154 ( -3.058 0.000 4.242) 5.229 3.223 ( 2.617 0.000 -2.932) 3.930 3.264 ( -0.571 0.000 3.790) 3.833 3.349 ( 2.073 0.000 -1.297) 2.445 3.482 ( -3.520 0.000 1.708) 3.912 3.563 ( 1.446 0.000 1.311) 1.952 3.677 ( -4.905 0.000 -3.270) 5.895 3.778 ( -0.336 0.000 3.962) 3.976 3.891 ( -0.669 0.000 3.875) 3.933 3.943 ( 0.481 0.000 -2.771) 2.812 5.617 ( 2.697 0.000 -0.730) 2.794 5.654 ( 3.829 0.000 2.587) 4.621 5.685 ( 0.067 0.000 0.084) 0.107 5.851 ( 6.871 0.000 -3.941) 7.921 6.016 ( -1.722 0.000 -2.104) 2.719 6.165 ( 4.393 0.000 1.768) 4.735 6.248 ( -1.042 0.000 3.522) 3.673 6.305 ( -0.711 0.000 -2.418) 2.520 6.565 ( 2.268 0.000 3.026) 3.781 6.613 ( 1.838 0.000 -0.754) 1.987 6.851 ( -7.521 0.000 -3.913) 8.478 6.964 ( -3.019 0.000 -4.301) 5.255 7.057 ( 0.634 0.000 3.565) 3.621 7.127 ( 3.161 0.000 3.794) 4.938 7.311 ( -2.607 0.000 2.611) 3.689 7.372 ( -0.687 0.000 -2.528) 2.620 7.596 ( -4.295 0.000 0.451) 4.319 7.667 ( -3.254 0.000 -5.513) 6.401 7.891 ( 0.881 0.000 -0.769) 1.169 7.898 ( 0.179 0.000 -0.121) 0.216 8.221 ( 0.603 0.000 -1.834) 1.930 8.253 ( 1.549 0.000 -0.102) 1.552 8.286 ( -0.534 0.000 3.736) 3.774 8.339 ( 3.331 0.000 -0.668) 3.397 8.536 ( -1.050 0.000 3.083) 3.257 8.543 ( -2.352 0.000 -2.537) 3.459 8.674 ( -2.213 0.000 -0.723) 2.328 8.808 ( -1.408 0.000 1.123) 1.802 8.847 ( 4.991 0.000 -2.432) 5.552 8.892 ( 0.612 0.000 1.927) 2.021 9.058 ( 1.027 0.000 2.698) 2.887 9.142 ( 4.235 0.000 -3.006) 5.194 9.597 ( -2.396 0.000 3.508) 4.248 9.692 ( 2.490 0.000 -4.258) 4.933 9.771 ( -2.339 0.000 0.190) 2.347 9.859 ( 1.423 0.000 -2.449) 2.832 ======================= Grid point 105 (65/74) ======================= q-point: (-0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -3.193 0.000 3.066) 4.427 0.734 ( -1.741 0.000 2.287) 2.874 0.846 ( -3.418 0.000 1.227) 3.632 0.858 ( 0.441 0.000 -1.873) 1.924 0.890 ( 0.491 0.000 1.555) 1.630 0.935 ( 0.637 0.000 -1.574) 1.698 1.007 ( -0.159 0.000 1.410) 1.419 1.112 ( 6.469 0.000 0.655) 6.502 1.160 ( -1.774 0.000 2.285) 2.893 1.190 ( 2.482 0.000 -2.958) 3.861 1.222 ( 1.275 0.000 8.423) 8.519 1.357 ( 3.150 0.000 -3.462) 4.680 1.451 ( -4.112 0.000 5.630) 6.972 1.483 ( 3.777 0.000 5.551) 6.714 1.483 ( 0.235 0.000 1.532) 1.550 1.508 ( -1.204 0.000 -0.430) 1.278 1.575 ( 0.675 0.000 -0.294) 0.736 1.628 ( 0.533 0.000 1.093) 1.216 1.660 ( 6.251 0.000 -6.896) 9.308 1.754 ( -1.066 0.000 1.298) 1.679 1.764 ( -2.122 0.000 -2.614) 3.367 1.859 ( -1.718 0.000 2.562) 3.084 1.896 ( 1.203 0.000 1.716) 2.096 1.917 ( 0.548 0.000 1.784) 1.867 2.010 ( 5.015 0.000 4.675) 6.856 2.060 ( -1.114 0.000 4.027) 4.178 2.113 ( 1.078 0.000 -2.645) 2.856 2.166 ( 0.809 0.000 2.509) 2.636 2.218 ( 3.558 0.000 -0.559) 3.602 2.239 ( -0.063 0.000 1.801) 1.802 2.291 ( -0.476 0.000 -0.238) 0.532 2.322 ( -0.783 0.000 -1.766) 1.932 2.424 ( 4.385 0.000 2.011) 4.825 2.654 ( 4.281 0.000 -1.842) 4.661 2.707 ( -3.548 0.000 -3.392) 4.909 2.785 ( -5.488 0.000 -5.460) 7.741 2.983 ( -5.026 0.000 2.079) 5.439 3.102 ( 1.301 0.000 -3.471) 3.706 3.137 ( -2.798 0.000 4.605) 5.388 3.241 ( 1.886 0.000 -3.096) 3.625 3.265 ( -2.525 0.000 2.265) 3.392 3.326 ( -2.917 0.000 -1.780) 3.417 3.405 ( -6.071 0.000 1.178) 6.184 3.499 ( -5.708 0.000 -5.494) 7.922 3.671 ( 3.514 0.000 3.458) 4.930 3.794 ( -0.935 0.000 3.762) 3.877 3.920 ( 0.095 0.000 3.026) 3.027 3.921 ( 0.378 0.000 -2.796) 2.821 5.684 ( 2.061 0.000 -1.598) 2.608 5.692 ( 3.874 0.000 0.000) 3.874 5.796 ( 4.467 0.000 4.397) 6.268 5.845 ( 0.609 0.000 -6.598) 6.626 6.084 ( 7.784 0.000 0.842) 7.829 6.203 ( -1.816 0.000 0.691) 1.943 6.257 ( -2.548 0.000 3.553) 4.372 6.293 ( 0.803 0.000 1.875) 2.040 6.629 ( -3.315 0.000 2.193) 3.975 6.640 ( 2.567 0.000 0.913) 2.724 6.726 ( 1.107 0.000 -3.583) 3.750 6.937 ( 3.424 0.000 -1.976) 3.953 7.025 ( -5.738 0.000 2.407) 6.222 7.176 ( -0.600 0.000 2.810) 2.873 7.306 ( -0.662 0.000 2.648) 2.730 7.318 ( -1.645 0.000 -3.389) 3.767 7.523 ( -4.098 0.000 -7.757) 8.773 7.562 ( 0.412 0.000 -0.218) 0.466 7.858 ( -3.407 0.000 -1.799) 3.853 7.874 ( -2.029 0.000 -1.438) 2.487 8.239 ( 3.096 0.000 -1.678) 3.522 8.251 ( -2.445 0.000 1.546) 2.893 8.327 ( 0.889 0.000 4.069) 4.165 8.401 ( 3.744 0.000 -3.785) 5.324 8.479 ( -2.124 0.000 0.951) 2.327 8.557 ( 0.853 0.000 2.490) 2.632 8.657 ( 0.830 0.000 -0.486) 0.962 8.782 ( -2.275 0.000 2.023) 3.044 8.920 ( 0.033 0.000 3.473) 3.473 8.948 ( 6.534 0.000 -1.599) 6.727 9.104 ( 0.834 0.000 2.259) 2.408 9.187 ( 3.512 0.000 -3.860) 5.218 9.575 ( -3.033 0.000 2.976) 4.249 9.696 ( 2.129 0.000 -4.573) 5.045 9.728 ( -1.764 0.000 -0.762) 1.922 9.837 ( -0.489 0.000 -4.133) 4.162 ======================= Grid point 106 (66/74) ======================= q-point: (-0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 1.330 0.000 2.789) 3.090 0.773 ( 3.570 0.000 4.802) 5.984 0.812 ( -1.950 0.000 2.364) 3.065 0.866 ( 1.261 0.000 0.113) 1.266 0.893 ( -0.977 0.000 0.737) 1.224 0.928 ( -0.145 0.000 -1.625) 1.631 1.042 ( 1.856 0.000 4.075) 4.478 1.154 ( -0.092 0.000 0.862) 0.867 1.164 ( 0.319 0.000 0.936) 0.989 1.273 ( 4.443 0.000 -1.755) 4.777 1.310 ( 0.529 0.000 8.170) 8.187 1.377 ( 2.394 0.000 -3.968) 4.634 1.401 ( -5.292 0.000 4.942) 7.241 1.468 ( 0.177 0.000 -3.525) 3.529 1.520 ( -2.595 0.000 0.536) 2.650 1.530 ( 1.071 0.000 2.800) 2.998 1.652 ( 2.328 0.000 0.394) 2.361 1.670 ( 3.048 0.000 3.913) 4.960 1.696 ( -1.133 0.000 -0.205) 1.152 1.738 ( 7.089 0.000 -5.231) 8.810 1.770 ( 0.774 0.000 1.813) 1.971 1.832 ( -3.020 0.000 1.907) 3.571 1.915 ( 0.668 0.000 1.696) 1.823 1.934 ( 0.454 0.000 1.500) 1.567 2.022 ( -0.472 0.000 0.620) 0.779 2.103 ( 0.507 0.000 -2.282) 2.337 2.126 ( 0.228 0.000 3.881) 3.888 2.207 ( 0.455 0.000 2.362) 2.405 2.254 ( 1.509 0.000 -2.323) 2.770 2.267 ( -0.121 0.000 -1.721) 1.725 2.298 ( 1.814 0.000 4.052) 4.440 2.325 ( 1.957 0.000 -0.907) 2.157 2.516 ( 1.620 0.000 3.225) 3.609 2.655 ( -0.594 0.000 -0.624) 0.861 2.665 ( -2.585 0.000 -3.572) 4.409 2.722 ( 4.616 0.000 -1.734) 4.931 2.906 ( -4.575 0.000 3.101) 5.527 3.052 ( -2.426 0.000 -6.504) 6.942 3.094 ( -6.641 0.000 1.903) 6.908 3.202 ( -3.969 0.000 -6.069) 7.252 3.221 ( -2.890 0.000 2.286) 3.685 3.258 ( -1.643 0.000 0.253) 1.662 3.317 ( -3.896 0.000 2.019) 4.388 3.359 ( -1.604 0.000 -4.737) 5.001 3.782 ( 4.114 0.000 3.313) 5.283 3.814 ( -0.821 0.000 3.741) 3.830 3.917 ( 1.518 0.000 -2.169) 2.647 3.941 ( -0.489 0.000 2.051) 2.108 5.686 ( -1.090 0.000 -3.315) 3.490 5.697 ( -0.377 0.000 -1.168) 1.227 5.859 ( 1.233 0.000 -0.211) 1.251 5.885 ( 6.582 0.000 -3.304) 7.365 6.177 ( -5.963 0.000 2.666) 6.532 6.191 ( -1.136 0.000 1.428) 1.825 6.266 ( 6.825 0.000 3.061) 7.480 6.337 ( 2.035 0.000 3.813) 4.322 6.602 ( 1.406 0.000 0.170) 1.416 6.666 ( -1.314 0.000 1.932) 2.336 6.765 ( 2.685 0.000 -0.903) 2.833 6.947 ( -1.088 0.000 -2.400) 2.635 6.988 ( -1.449 0.000 1.927) 2.411 7.160 ( -4.195 0.000 1.472) 4.446 7.292 ( 2.886 0.000 -2.313) 3.698 7.313 ( 0.258 0.000 1.841) 1.859 7.445 ( 3.296 0.000 -5.577) 6.478 7.581 ( 1.724 0.000 -1.210) 2.107 7.747 ( -5.674 0.000 -2.743) 6.303 7.789 ( -5.580 0.000 -1.232) 5.714 8.220 ( -2.850 0.000 3.639) 4.622 8.305 ( 5.265 0.000 -2.330) 5.757 8.364 ( -1.271 0.000 4.228) 4.415 8.383 ( 1.367 0.000 -5.299) 5.472 8.507 ( 1.428 0.000 2.137) 2.570 8.600 ( 0.683 0.000 0.965) 1.183 8.690 ( 3.869 0.000 -1.162) 4.039 8.753 ( -3.522 0.000 3.440) 4.923 8.961 ( 0.151 0.000 5.321) 5.323 9.051 ( 5.979 0.000 -2.204) 6.372 9.117 ( -1.391 0.000 1.723) 2.214 9.195 ( 1.456 0.000 -5.009) 5.216 9.549 ( -2.100 0.000 2.958) 3.627 9.684 ( 0.643 0.000 -4.424) 4.471 9.695 ( -1.369 0.000 -0.050) 1.370 9.778 ( -0.792 0.000 -5.052) 5.114 ======================= Grid point 107 (67/74) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -1.002 0.255 2.560) 2.760 0.810 ( 0.198 -0.661 1.459) 1.614 0.870 ( -0.288 3.386 3.343) 4.767 0.900 ( -0.993 1.043 0.975) 1.739 0.909 ( -0.957 0.593 -0.366) 1.184 0.926 ( 1.017 0.625 -0.981) 1.545 1.059 ( -0.806 -1.856 2.499) 3.216 1.101 ( 0.381 -4.077 -1.405) 4.329 1.252 ( 2.668 2.352 3.984) 5.341 1.290 ( 0.795 -0.300 1.921) 2.101 1.343 ( -1.299 -0.536 0.743) 1.590 1.359 ( -1.702 -1.105 0.311) 2.053 1.421 ( -0.559 0.087 1.521) 1.623 1.429 ( 0.433 -0.149 1.806) 1.863 1.549 ( 0.887 4.426 -1.554) 4.774 1.572 ( -1.381 3.146 -1.514) 3.755 1.631 ( 3.737 -0.261 -0.322) 3.760 1.662 ( -4.711 -2.522 -2.534) 5.914 1.700 ( -1.878 -1.881 0.169) 2.664 1.733 ( 3.280 -1.708 -2.538) 4.485 1.771 ( 0.785 -1.732 0.240) 1.917 1.775 ( 2.567 -3.829 -0.747) 4.669 1.997 ( -1.093 3.311 2.433) 4.252 2.028 ( 1.361 0.962 -0.086) 1.669 2.069 ( 1.892 1.630 2.991) 3.897 2.114 ( -0.853 -0.771 1.202) 1.663 2.130 ( -0.189 0.782 -0.279) 0.851 2.190 ( 1.774 -3.453 -2.365) 4.546 2.241 ( 0.095 0.375 0.847) 0.931 2.261 ( 0.161 -0.986 -0.198) 1.018 2.319 ( 0.801 1.482 1.369) 2.171 2.361 ( 0.659 -1.472 -2.037) 2.598 2.621 ( 1.231 4.448 4.623) 6.533 2.678 ( -0.567 2.767 1.301) 3.110 2.689 ( 0.233 3.380 -1.143) 3.575 2.718 ( 0.332 -0.010 -0.630) 0.713 2.874 ( -2.478 -2.014 3.806) 4.968 2.943 ( -4.342 -2.486 0.273) 5.011 2.957 ( -0.693 -4.190 -3.149) 5.287 2.980 ( -2.640 -2.624 -3.592) 5.173 3.213 ( -0.180 0.833 1.643) 1.851 3.217 ( 0.126 0.353 0.865) 0.942 3.364 ( -0.538 2.456 0.046) 2.515 3.376 ( -0.022 1.349 -1.166) 1.783 3.849 ( -1.990 1.874 2.271) 3.554 3.868 ( 1.692 1.255 0.973) 2.321 3.901 ( -0.963 -1.903 0.893) 2.313 3.919 ( 1.241 -1.846 -0.489) 2.277 5.689 ( -1.408 2.870 -0.087) 3.198 5.697 ( -0.174 2.399 -0.810) 2.538 5.859 ( 0.987 -1.547 -0.264) 1.854 5.879 ( -1.935 -3.337 -2.012) 4.350 6.158 ( 3.275 3.054 0.274) 4.486 6.178 ( -1.053 0.886 -1.388) 1.955 6.290 ( -2.501 -5.494 1.748) 6.285 6.309 ( 5.303 -6.607 -0.049) 8.472 6.718 ( 0.847 4.793 2.426) 5.439 6.753 ( 0.329 2.334 -1.495) 2.791 6.855 ( 4.812 4.254 2.605) 6.931 6.909 ( -4.446 4.355 -2.617) 6.751 6.976 ( 2.495 -3.459 3.787) 5.703 7.025 ( -4.276 -3.364 -1.300) 5.594 7.341 ( 1.318 -0.003 -1.223) 1.798 7.344 ( 1.943 -0.180 -1.329) 2.361 7.552 ( 1.685 1.816 -1.147) 2.730 7.557 ( -3.176 1.842 -1.361) 3.916 7.634 ( -4.253 -1.928 -0.203) 4.674 7.650 ( 2.769 -2.861 -1.600) 4.291 8.232 ( -1.569 1.328 3.833) 4.350 8.273 ( -1.376 -2.345 0.959) 2.883 8.394 ( -0.424 2.169 -1.443) 2.640 8.426 ( 3.271 -0.824 -3.368) 4.766 8.561 ( 0.953 1.145 2.106) 2.580 8.585 ( -0.719 -0.532 -0.008) 0.894 8.707 ( -1.283 0.501 1.465) 2.011 8.742 ( 2.991 -2.063 -1.750) 4.033 9.035 ( -0.083 1.136 5.711) 5.824 9.064 ( -1.298 -1.387 3.288) 3.797 9.133 ( 1.266 0.716 -3.734) 4.007 9.148 ( 0.128 -0.543 -5.019) 5.050 9.577 ( -0.263 1.246 2.574) 2.871 9.609 ( -0.977 -1.676 -0.154) 1.946 9.707 ( -0.463 1.696 -1.959) 2.632 9.731 ( 0.371 -0.502 -3.649) 3.702 ======================= Grid point 108 (68/74) ======================= q-point: ( 0.12 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -0.822 1.533 0.761) 1.898 0.823 ( 0.084 -1.091 0.996) 1.480 0.847 ( -4.259 2.116 1.000) 4.860 0.866 ( -2.810 0.358 0.158) 2.837 0.903 ( -0.106 2.490 1.986) 3.187 0.937 ( 0.578 0.293 -0.370) 0.746 1.044 ( -2.247 -1.556 0.462) 2.773 1.093 ( -0.298 -4.473 0.220) 4.489 1.226 ( -4.059 2.305 -2.501) 5.296 1.261 ( -3.781 -0.799 -1.724) 4.231 1.322 ( -1.531 -0.033 1.761) 2.334 1.362 ( 0.195 -2.926 2.445) 3.818 1.436 ( 0.601 0.798 -0.833) 1.300 1.464 ( 0.579 -1.387 2.182) 2.650 1.529 ( -0.305 1.998 -0.183) 2.029 1.577 ( -0.079 0.885 -1.217) 1.507 1.606 ( 0.681 0.407 -0.802) 1.128 1.650 ( -2.459 0.648 -0.772) 2.657 1.732 ( -0.522 -3.282 -1.641) 3.706 1.737 ( 2.695 1.795 -0.256) 3.248 1.764 ( 0.941 -2.830 0.408) 3.010 1.795 ( 2.002 -3.499 -4.016) 5.691 1.995 ( -0.548 3.935 0.925) 4.079 2.033 ( 0.263 0.842 -0.923) 1.277 2.073 ( -0.688 1.985 -1.020) 2.335 2.091 ( -1.627 0.994 0.495) 1.970 2.143 ( 0.406 -0.182 0.476) 0.652 2.189 ( 0.428 -2.251 -3.539) 4.215 2.250 ( 0.125 0.590 -0.030) 0.604 2.263 ( 0.227 -0.096 -0.343) 0.422 2.296 ( -2.199 0.955 -0.448) 2.439 2.345 ( 0.242 -2.839 -1.228) 3.103 2.609 ( -3.791 2.340 -0.852) 4.536 2.649 ( -4.214 0.553 0.517) 4.282 2.682 ( -0.630 3.046 -0.826) 3.218 2.723 ( 0.367 2.149 -1.621) 2.716 2.930 ( 1.587 1.441 3.245) 3.889 2.953 ( 4.842 -0.524 4.203) 6.432 2.995 ( 5.673 -2.685 7.862) 10.060 3.030 ( 5.205 -7.390 1.351) 9.139 3.228 ( 1.078 1.492 0.170) 1.849 3.241 ( 1.962 0.156 0.341) 1.997 3.344 ( -1.215 2.923 0.405) 3.191 3.384 ( 0.731 -0.090 0.719) 1.029 3.813 ( -3.482 1.094 0.978) 3.778 3.853 ( -3.388 -1.979 1.187) 4.099 3.892 ( 0.336 2.074 -0.892) 2.282 3.939 ( 0.463 -1.835 -0.418) 1.938 5.642 ( -1.881 1.849 1.202) 2.898 5.691 ( -2.380 -1.247 1.030) 2.878 5.847 ( 0.237 1.886 -0.286) 1.922 5.872 ( -0.945 0.530 0.284) 1.120 6.181 ( 1.712 -3.104 -2.308) 4.230 6.199 ( 0.459 -3.871 0.539) 3.935 6.287 ( 3.881 2.837 -2.185) 5.280 6.381 ( 2.876 -4.220 -3.451) 6.164 6.678 ( -3.773 4.712 -1.106) 6.137 6.746 ( -1.778 -1.292 -0.633) 2.287 6.798 ( -3.793 6.822 -2.831) 8.303 6.932 ( 0.813 4.553 3.530) 5.818 6.951 ( -1.353 -6.023 -2.484) 6.654 7.054 ( 1.261 -5.930 3.880) 7.198 7.330 ( 0.436 1.808 -3.101) 3.616 7.356 ( 0.641 -0.684 -1.844) 2.069 7.475 ( -0.753 6.381 1.199) 6.536 7.570 ( -1.929 -0.031 2.132) 2.875 7.663 ( 5.845 -1.290 0.535) 6.010 7.721 ( 3.741 -4.266 0.491) 5.695 8.245 ( -1.152 0.407 3.593) 3.796 8.258 ( -1.304 -0.914 2.282) 2.783 8.363 ( -0.652 3.694 -1.948) 4.226 8.427 ( 0.048 -1.867 -3.009) 3.541 8.564 ( -0.616 1.169 -1.168) 1.764 8.602 ( 1.573 -1.780 0.140) 2.379 8.687 ( -1.014 3.151 -0.551) 3.356 8.769 ( 1.714 -3.756 -2.399) 4.775 9.023 ( -4.642 0.975 1.564) 4.995 9.051 ( -2.776 -1.452 1.422) 3.441 9.105 ( -0.045 1.403 -1.290) 1.907 9.138 ( 0.926 -1.495 -1.811) 2.524 9.605 ( 0.745 0.489 1.268) 1.550 9.616 ( 1.344 -0.193 1.380) 1.936 9.695 ( -0.186 1.240 1.120) 1.681 9.716 ( 0.570 -0.511 -1.581) 1.756 ======================= Grid point 109 (69/74) ======================= q-point: ( 0.25 0.33 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -3.047 2.157 0.353) 3.750 0.779 ( -0.747 1.109 -1.346) 1.897 0.821 ( -0.961 0.207 1.640) 1.912 0.852 ( 1.268 -1.359 0.545) 1.937 0.925 ( 0.430 3.390 2.188) 4.058 0.940 ( -0.110 1.454 -0.151) 1.466 1.001 ( -1.207 -0.733 -1.212) 1.861 1.082 ( -2.521 -2.650 1.855) 4.101 1.155 ( -3.235 -0.681 -1.740) 3.735 1.166 ( -0.386 -2.410 -1.673) 2.959 1.312 ( -1.797 1.143 1.652) 2.696 1.380 ( -1.510 -3.926 0.846) 4.291 1.420 ( -0.647 1.627 -1.491) 2.300 1.464 ( -1.310 -1.190 -0.008) 1.770 1.527 ( -1.504 -0.074 -0.834) 1.721 1.542 ( -1.018 -0.476 -1.438) 1.825 1.567 ( -1.809 0.824 -1.054) 2.250 1.594 ( -2.356 -1.892 -2.224) 3.752 1.672 ( -0.897 2.616 -1.994) 3.409 1.760 ( 1.209 -2.997 -1.967) 3.783 1.807 ( 3.305 0.741 -0.700) 3.459 1.835 ( 2.377 -0.701 -0.293) 2.495 1.989 ( -0.922 3.461 -1.227) 3.786 2.035 ( 1.259 2.910 -2.503) 4.039 2.057 ( -1.777 -0.577 0.553) 1.949 2.083 ( 0.140 1.534 0.482) 1.614 2.130 ( -1.818 -2.450 -0.916) 3.185 2.148 ( -0.385 -1.804 -3.385) 3.855 2.246 ( 0.272 0.396 -0.776) 0.913 2.253 ( -0.553 -0.757 0.008) 0.938 2.289 ( -1.269 0.782 0.079) 1.493 2.303 ( -2.091 -0.280 -2.638) 3.378 2.506 ( -4.308 1.615 -2.474) 5.224 2.558 ( -4.877 -2.399 2.165) 5.851 2.713 ( 1.981 2.844 0.737) 3.543 2.722 ( 1.823 2.138 2.882) 4.025 2.995 ( 1.841 1.957 3.411) 4.342 3.080 ( 2.931 1.698 3.228) 4.679 3.114 ( 2.307 -3.120 3.326) 5.110 3.188 ( 5.177 -3.878 3.206) 7.220 3.259 ( 3.151 1.291 -2.143) 4.024 3.289 ( 2.746 -1.018 -1.816) 3.446 3.361 ( 1.956 2.213 4.703) 5.553 3.430 ( 2.319 -2.041 3.866) 4.949 3.744 ( -3.582 2.718 -0.036) 4.496 3.816 ( -2.124 -3.051 2.557) 4.512 3.880 ( -0.528 2.332 -1.127) 2.643 3.930 ( -0.707 -1.955 -0.569) 2.156 5.640 ( -0.393 0.303 1.767) 1.835 5.673 ( -0.213 -1.798 2.358) 2.973 5.784 ( -4.293 2.845 -1.672) 5.415 5.848 ( -2.812 -2.265 -2.806) 4.573 6.150 ( -2.807 3.114 -0.928) 4.294 6.228 ( 0.126 -3.119 -3.167) 4.447 6.313 ( 0.633 2.573 -2.161) 3.419 6.382 ( 1.617 -1.808 -2.008) 3.149 6.613 ( -1.616 1.592 -0.497) 2.323 6.677 ( -3.826 -3.145 -1.890) 5.301 6.736 ( 0.032 6.527 -0.847) 6.582 6.898 ( -1.090 -5.294 -2.025) 5.772 7.003 ( 3.902 1.692 2.221) 4.798 7.117 ( 2.334 -6.431 4.199) 8.027 7.310 ( 0.299 2.464 -3.479) 4.274 7.339 ( -0.470 -0.499 -1.623) 1.762 7.544 ( 4.900 7.144 2.400) 8.989 7.594 ( 1.718 3.588 2.523) 4.711 7.761 ( 3.589 -4.054 1.053) 5.516 7.782 ( 1.685 -4.715 1.658) 5.275 8.236 ( -1.956 2.207 2.523) 3.881 8.274 ( -0.553 -1.157 2.669) 2.961 8.340 ( -0.764 2.627 -0.872) 2.871 8.387 ( -0.977 -1.557 -2.971) 3.493 8.543 ( 0.362 2.317 -2.278) 3.269 8.615 ( 0.741 -3.225 -1.942) 3.837 8.669 ( 0.445 4.423 -1.372) 4.653 8.769 ( 0.666 -4.072 -1.917) 4.550 8.941 ( -4.842 1.636 0.790) 5.172 8.989 ( -2.945 -2.017 -1.510) 3.875 9.096 ( -1.633 0.583 1.525) 2.309 9.127 ( -0.659 -1.768 -1.306) 2.295 9.636 ( -0.078 1.308 2.039) 2.424 9.642 ( 1.840 0.733 -1.279) 2.358 9.723 ( 1.471 0.027 0.823) 1.686 9.733 ( 0.756 -0.665 3.784) 3.916 ======================= Grid point 110 (70/74) ======================= q-point: ( 0.38 0.33 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 0.874 0.853 3.383) 3.596 0.793 ( 1.351 -1.775 3.181) 3.886 0.830 ( 0.425 3.101 0.342) 3.149 0.881 ( 1.380 -1.877 -0.227) 2.341 0.949 ( 2.153 2.374 0.004) 3.205 0.956 ( 1.750 5.198 0.452) 5.503 0.990 ( 1.303 -1.781 -2.190) 3.109 1.048 ( -1.861 1.326 2.531) 3.410 1.107 ( -1.724 0.535 1.826) 2.567 1.177 ( 0.772 -6.611 -1.947) 6.935 1.274 ( -3.871 1.532 -2.114) 4.669 1.284 ( -2.698 0.624 -1.810) 3.308 1.398 ( -1.898 -1.457 1.124) 2.644 1.427 ( -1.454 -1.714 -1.627) 2.775 1.491 ( -0.937 1.429 0.731) 1.858 1.534 ( 0.480 -1.806 -0.962) 2.102 1.548 ( -0.101 0.081 0.675) 0.687 1.573 ( 0.294 -2.062 -0.687) 2.194 1.628 ( -2.769 2.902 -3.008) 5.013 1.749 ( -0.553 -6.133 -3.759) 7.214 1.843 ( -0.563 2.712 -1.724) 3.263 1.854 ( 1.701 2.007 -0.225) 2.641 1.910 ( -4.166 0.904 -4.386) 6.116 1.936 ( -6.250 -0.273 -5.553) 8.365 2.048 ( 0.901 1.750 -1.789) 2.660 2.065 ( -0.641 2.836 -0.247) 2.918 2.105 ( -0.730 -2.183 -0.289) 2.319 2.150 ( 1.808 -2.031 1.247) 2.992 2.222 ( -1.572 2.473 -0.893) 3.063 2.245 ( -0.756 -0.509 0.352) 0.977 2.254 ( -0.325 -1.160 0.860) 1.480 2.275 ( -0.612 -1.585 -1.229) 2.097 2.447 ( -0.251 2.173 -0.615) 2.272 2.506 ( -3.563 -2.248 2.567) 4.933 2.790 ( 4.326 2.287 3.206) 5.850 2.818 ( 3.424 -0.209 4.449) 5.618 3.043 ( 0.196 1.815 3.195) 3.680 3.107 ( -2.079 -1.960 2.629) 3.883 3.176 ( 2.411 3.806 0.575) 4.541 3.246 ( 1.822 -0.569 -1.988) 2.756 3.313 ( 2.588 -0.313 -0.148) 2.611 3.317 ( 1.607 -0.125 -0.151) 1.619 3.443 ( 1.867 -0.588 2.562) 3.224 3.498 ( 0.106 -3.800 2.657) 4.638 3.715 ( 0.035 5.489 2.289) 5.947 3.821 ( -0.693 -3.785 3.929) 5.499 3.859 ( -0.552 1.969 -1.277) 2.411 3.909 ( -0.595 -2.226 -0.766) 2.428 5.649 ( -1.993 1.603 0.070) 2.559 5.671 ( -0.931 0.530 -0.885) 1.389 5.732 ( -1.906 -1.375 -0.819) 2.489 5.754 ( 0.995 -2.504 -1.896) 3.294 6.031 ( -5.354 3.601 -2.933) 7.087 6.145 ( -4.917 -5.857 -3.704) 8.497 6.319 ( -0.554 3.583 0.332) 3.641 6.347 ( -2.496 0.937 -2.614) 3.733 6.605 ( -1.706 -0.533 0.157) 1.794 6.626 ( 1.770 -1.501 0.003) 2.321 6.801 ( 5.844 4.351 1.454) 7.430 6.904 ( 2.903 -1.969 0.328) 3.523 7.081 ( 1.296 1.538 0.702) 2.130 7.180 ( -0.438 -4.864 0.996) 4.985 7.286 ( 0.192 1.488 -0.268) 1.524 7.325 ( 0.880 -1.685 -1.363) 2.339 7.657 ( 4.406 5.077 1.848) 6.972 7.664 ( 3.675 5.129 1.441) 6.472 7.811 ( 0.489 -4.257 1.722) 4.618 7.824 ( 1.642 -4.800 0.947) 5.161 8.225 ( -0.979 2.658 1.486) 3.199 8.266 ( -1.605 -0.441 0.242) 1.682 8.307 ( -2.182 0.951 0.389) 2.412 8.345 ( -0.987 -1.652 -2.690) 3.308 8.545 ( 1.176 2.240 -1.176) 2.790 8.598 ( 0.027 -1.853 -2.697) 3.272 8.695 ( 3.309 3.224 -0.712) 4.674 8.776 ( 1.713 -3.163 -0.546) 3.639 8.859 ( -4.407 1.991 -0.075) 4.836 8.918 ( -3.374 -2.625 -1.109) 4.417 9.073 ( -1.862 0.393 1.067) 2.182 9.096 ( -0.800 -1.431 -1.685) 2.351 9.637 ( -1.309 1.959 2.291) 3.286 9.664 ( 1.412 -0.359 -1.495) 2.087 9.771 ( 2.561 0.311 0.974) 2.757 9.783 ( 0.614 -0.725 3.179) 3.318 ======================= Grid point 111 (71/74) ======================= q-point: (-0.50 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -1.015 2.292 2.713) 3.694 0.820 ( -1.181 -0.326 1.518) 1.951 0.862 ( 0.538 0.186 2.426) 2.492 0.896 ( 1.069 -2.127 -1.244) 2.686 0.972 ( -1.073 4.471 0.748) 4.659 1.006 ( 0.378 0.212 -1.252) 1.325 1.017 ( 2.325 1.146 2.147) 3.366 1.069 ( -0.919 2.242 -1.585) 2.896 1.127 ( 0.500 -3.556 0.873) 3.695 1.135 ( 1.049 -3.018 5.989) 6.788 1.211 ( -0.258 5.441 -3.789) 6.636 1.282 ( 0.337 -2.774 -3.869) 4.773 1.366 ( -1.566 -1.821 2.274) 3.308 1.413 ( 0.671 -2.816 3.871) 4.833 1.470 ( -1.318 1.937 -3.605) 4.299 1.509 ( -0.633 2.112 -0.920) 2.389 1.525 ( -1.972 0.938 -4.096) 4.642 1.525 ( -0.717 -1.001 -1.321) 1.806 1.610 ( 1.440 -1.644 1.637) 2.731 1.655 ( -2.277 -3.841 -3.403) 5.614 1.796 ( -1.339 -0.289 -0.266) 1.395 1.823 ( -0.297 -2.750 -2.412) 3.670 1.870 ( 0.232 1.164 -0.978) 1.538 1.875 ( 0.703 0.713 -1.225) 1.582 2.007 ( -4.105 3.642 2.697) 6.115 2.069 ( 0.998 -1.116 -2.790) 3.166 2.136 ( 1.786 3.480 2.840) 4.834 2.176 ( -0.682 -0.101 0.149) 0.705 2.200 ( -1.246 1.747 0.510) 2.205 2.232 ( 2.264 0.243 -2.274) 3.218 2.256 ( -0.112 -0.392 0.129) 0.428 2.271 ( 0.899 -1.223 -1.240) 1.960 2.459 ( -3.593 -0.781 1.913) 4.145 2.471 ( 2.136 -2.234 0.824) 3.198 2.888 ( 0.135 0.076 2.390) 2.395 2.895 ( 2.838 -0.456 1.575) 3.277 3.075 ( -1.356 -0.298 2.212) 2.612 3.076 ( -0.617 -1.007 2.168) 2.468 3.217 ( 1.361 2.644 0.339) 2.993 3.241 ( -0.595 0.120 -1.810) 1.909 3.315 ( -2.624 3.381 1.658) 4.590 3.346 ( 1.875 1.651 -1.347) 2.838 3.476 ( -1.093 -2.460 1.596) 3.130 3.493 ( 0.443 -2.869 0.001) 2.903 3.766 ( 1.412 3.934 3.801) 5.649 3.822 ( -1.919 2.604 -1.589) 3.604 3.846 ( -0.800 -2.582 3.711) 4.591 3.901 ( 0.460 -3.435 -1.421) 3.746 5.600 ( -0.425 0.522 -0.732) 0.994 5.616 ( -1.462 -0.986 -2.213) 2.829 5.760 ( 1.160 2.332 -0.020) 2.604 5.773 ( 2.365 1.979 -1.521) 3.439 5.983 ( 1.734 -3.265 0.760) 3.774 6.024 ( -3.236 -5.535 -3.244) 7.185 6.289 ( -1.090 1.395 0.021) 1.771 6.306 ( 0.617 -0.317 -1.570) 1.716 6.599 ( -1.346 3.618 2.118) 4.403 6.640 ( 0.832 0.870 -1.783) 2.151 6.929 ( 3.547 0.423 3.119) 4.742 6.972 ( 0.019 -2.569 -0.524) 2.622 7.066 ( 0.525 3.499 0.976) 3.670 7.111 ( -3.533 0.049 -2.968) 4.615 7.305 ( -0.866 -0.616 2.665) 2.869 7.340 ( 0.715 -3.070 -0.833) 3.260 7.717 ( -0.424 3.980 1.010) 4.128 7.733 ( 2.661 3.275 -0.690) 4.276 7.831 ( 0.572 -3.018 1.225) 3.307 7.846 ( 0.481 -3.586 -0.448) 3.646 8.232 ( 0.761 0.813 0.344) 1.166 8.240 ( -0.458 0.234 -0.444) 0.679 8.282 ( -0.981 0.819 0.921) 1.575 8.308 ( -0.229 -1.251 -1.611) 2.053 8.550 ( -0.348 1.347 0.632) 1.528 8.578 ( 0.145 -0.993 -2.070) 2.300 8.759 ( -0.374 1.934 0.563) 2.049 8.779 ( -0.083 2.626 -1.116) 2.855 8.818 ( 0.187 -2.535 1.147) 2.789 8.850 ( -0.341 -2.767 -1.783) 3.310 9.055 ( -0.668 1.106 0.757) 1.498 9.084 ( 1.589 -1.390 -1.982) 2.896 9.632 ( -1.542 2.068 2.517) 3.605 9.671 ( 0.676 -1.182 -1.166) 1.793 9.807 ( 0.029 0.579 0.825) 1.008 9.822 ( 2.363 -0.625 -0.518) 2.498 ======================= Grid point 112 (72/74) ======================= q-point: (-0.38 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -3.342 0.618 2.478) 4.206 0.795 ( -4.364 0.190 2.392) 4.981 0.867 ( -0.111 0.497 -1.515) 1.598 0.883 ( -0.882 -1.094 -2.224) 2.631 0.931 ( -4.071 0.842 0.120) 4.159 0.957 ( -1.261 -1.757 0.921) 2.350 1.001 ( -1.991 3.883 -2.103) 4.844 1.091 ( -0.910 1.036 1.627) 2.132 1.122 ( 0.625 -0.069 1.372) 1.510 1.127 ( -0.530 -0.999 -0.060) 1.133 1.215 ( 2.018 0.008 -0.648) 2.119 1.266 ( 2.282 -3.515 1.996) 4.641 1.398 ( 0.600 1.920 1.241) 2.364 1.449 ( 0.737 -1.975 -1.906) 2.842 1.493 ( -0.459 1.932 1.655) 2.585 1.504 ( -0.569 0.718 1.240) 1.542 1.534 ( 3.200 -0.258 0.837) 3.318 1.569 ( 6.651 -0.979 0.486) 6.740 1.616 ( 0.812 -0.779 -2.476) 2.720 1.670 ( 2.391 -5.735 3.108) 6.948 1.823 ( 2.060 -0.104 0.358) 2.093 1.829 ( 2.903 -0.732 2.819) 4.112 1.864 ( 0.073 1.777 -1.158) 2.122 1.879 ( 1.372 0.622 -0.143) 1.513 1.967 ( -2.992 5.284 4.204) 7.386 2.055 ( -1.010 -2.415 0.449) 2.655 2.148 ( -0.962 1.065 -1.403) 2.007 2.156 ( -1.270 0.193 0.958) 1.603 2.215 ( 2.466 4.186 -0.620) 4.898 2.248 ( -0.444 0.378 -0.122) 0.596 2.268 ( 1.586 -1.318 -1.148) 2.361 2.290 ( 2.771 -2.100 -1.779) 3.906 2.417 ( -2.196 2.867 2.316) 4.290 2.526 ( 2.632 -5.246 0.802) 5.924 2.846 ( -3.920 1.887 -1.846) 4.726 2.894 ( -2.540 -2.225 -2.586) 4.253 3.054 ( -1.454 1.857 1.790) 2.961 3.117 ( 0.722 -3.033 2.151) 3.788 3.195 ( -1.763 3.393 -1.321) 4.046 3.220 ( -1.400 2.126 -0.133) 2.549 3.281 ( -2.395 0.571 1.775) 3.035 3.340 ( -2.019 -1.759 -0.987) 2.854 3.462 ( -0.573 0.533 0.421) 0.888 3.520 ( 1.147 -3.323 0.402) 3.539 3.758 ( -2.625 5.906 -2.022) 6.772 3.812 ( -0.225 2.563 3.357) 4.229 3.867 ( -0.224 -2.121 3.532) 4.126 3.886 ( -0.252 -4.849 -2.379) 5.407 5.623 ( 2.961 0.554 0.877) 3.137 5.642 ( 3.732 -1.032 2.347) 4.528 5.717 ( -0.983 3.297 -2.275) 4.125 5.814 ( 0.712 -4.428 -4.184) 6.134 5.997 ( 4.396 1.908 0.551) 4.824 6.088 ( 5.409 -5.049 1.781) 7.610 6.307 ( 2.339 2.496 1.197) 3.624 6.333 ( 2.021 0.636 -1.156) 2.414 6.581 ( -1.831 3.077 2.172) 4.188 6.639 ( 0.422 -0.269 -0.855) 0.991 6.845 ( -7.682 0.853 -2.498) 8.123 6.917 ( -4.837 -4.463 -0.792) 6.629 7.088 ( 0.971 4.196 0.072) 4.307 7.152 ( 3.151 -0.021 2.607) 4.090 7.289 ( -2.347 -0.985 2.024) 3.252 7.315 ( -1.810 -3.546 -1.951) 4.433 7.675 ( -3.186 5.873 -0.198) 6.685 7.723 ( -1.629 3.592 -3.554) 5.309 7.835 ( -0.752 -4.378 -0.636) 4.488 7.848 ( 0.361 -3.638 -1.264) 3.868 8.240 ( 1.068 1.310 0.044) 1.690 8.262 ( 1.085 -0.310 0.490) 1.231 8.288 ( 0.568 1.173 1.642) 2.096 8.323 ( 2.516 -1.409 -0.290) 2.898 8.546 ( -0.834 1.132 -0.601) 1.530 8.563 ( -0.261 0.381 0.133) 0.481 8.684 ( -3.645 1.735 0.087) 4.037 8.755 ( -3.379 -3.979 1.171) 5.350 8.861 ( 4.286 1.783 0.141) 4.644 8.898 ( 2.825 -0.841 0.302) 2.963 9.071 ( 1.774 1.520 0.395) 2.370 9.116 ( 3.567 -2.113 -2.413) 4.797 9.623 ( -1.835 2.032 2.329) 3.594 9.668 ( 0.026 -1.876 -0.883) 2.074 9.800 ( -0.169 2.111 -1.753) 2.749 9.842 ( 1.137 -1.485 -2.451) 3.083 ======================= Grid point 113 (73/74) ======================= q-point: (-0.25 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -2.750 0.971 3.734) 4.738 0.739 ( -2.101 -0.160 3.709) 4.266 0.847 ( -1.561 0.301 0.111) 1.594 0.857 ( 0.486 -0.322 -1.572) 1.677 0.912 ( 0.017 1.718 1.357) 2.189 0.952 ( -1.300 -0.085 0.919) 1.594 0.994 ( 2.502 1.049 -0.805) 2.830 1.088 ( -1.580 -3.774 3.462) 5.359 1.120 ( 2.746 0.389 -0.580) 2.833 1.155 ( -0.837 -1.959 0.729) 2.252 1.306 ( 4.701 3.746 4.482) 7.498 1.350 ( 4.045 -0.479 0.112) 4.075 1.425 ( 0.154 -2.024 1.045) 2.283 1.433 ( -1.603 -1.529 0.186) 2.223 1.496 ( 0.221 0.653 2.018) 2.132 1.510 ( 1.242 -0.584 2.127) 2.531 1.577 ( 1.740 0.733 -0.292) 1.910 1.615 ( 3.392 -2.691 -4.661) 6.361 1.643 ( 1.099 1.771 -0.086) 2.086 1.714 ( -0.197 -3.930 2.025) 4.426 1.817 ( -2.561 3.012 -1.396) 4.193 1.839 ( -0.914 0.150 -0.416) 1.015 1.941 ( 2.634 3.225 3.364) 5.353 1.968 ( 0.103 3.648 2.890) 4.655 2.006 ( 5.373 -2.011 5.808) 8.164 2.049 ( -1.115 -2.216 2.204) 3.318 2.125 ( 0.115 0.942 -1.750) 1.991 2.146 ( -0.030 -1.187 0.480) 1.281 2.239 ( -0.307 0.460 0.161) 0.576 2.251 ( 1.469 0.997 -0.718) 1.915 2.285 ( 2.076 -0.317 -0.465) 2.151 2.306 ( 0.296 -0.456 -1.112) 1.238 2.447 ( 2.559 3.946 3.240) 5.711 2.581 ( 2.835 -6.196 0.318) 6.821 2.749 ( -3.264 3.199 -2.562) 5.240 2.797 ( -3.557 -0.319 -3.784) 5.203 3.015 ( -4.253 2.909 0.664) 5.195 3.120 ( -2.773 -5.131 1.524) 6.028 3.157 ( -0.877 3.854 -2.266) 4.556 3.198 ( -1.201 1.033 1.055) 1.903 3.242 ( -3.402 -2.169 1.247) 4.223 3.269 ( -3.127 -2.414 -1.959) 4.410 3.434 ( -2.293 2.282 -1.962) 3.783 3.500 ( -2.973 -2.391 -2.563) 4.596 3.729 ( 1.173 5.645 0.992) 5.850 3.831 ( -0.376 1.781 2.958) 3.473 3.863 ( 0.232 -3.766 -1.257) 3.977 3.899 ( 0.265 -2.231 2.615) 3.448 5.686 ( 1.181 0.649 -2.177) 2.560 5.707 ( 2.218 0.156 -0.246) 2.237 5.758 ( 4.085 -0.864 1.653) 4.491 5.804 ( 4.791 -3.220 -0.797) 5.827 6.125 ( 6.236 2.905 1.037) 6.957 6.178 ( 1.491 -1.813 1.583) 2.831 6.299 ( -3.672 4.087 -0.991) 5.583 6.354 ( -0.799 0.956 0.907) 1.541 6.591 ( 0.049 0.589 1.935) 2.023 6.658 ( 2.955 -2.908 0.095) 4.147 6.724 ( -1.853 3.289 0.139) 3.777 6.854 ( -1.506 -7.166 2.190) 7.644 7.054 ( -2.552 4.732 -2.333) 5.860 7.177 ( -2.522 -4.762 -0.433) 5.406 7.265 ( -0.268 1.024 0.530) 1.184 7.299 ( 0.891 -1.316 0.993) 1.874 7.613 ( -2.789 5.980 -2.878) 7.198 7.648 ( -1.336 5.398 -3.531) 6.587 7.791 ( -2.969 -4.504 -1.605) 5.628 7.820 ( -1.798 -4.546 -2.161) 5.345 8.263 ( -1.799 0.871 2.220) 2.988 8.272 ( 1.338 1.028 0.267) 1.709 8.325 ( 1.367 1.303 1.463) 2.389 8.377 ( 3.691 -2.159 -2.342) 4.876 8.512 ( -0.995 3.017 0.170) 3.181 8.577 ( 0.412 -0.981 1.470) 1.815 8.649 ( -0.376 1.541 0.759) 1.758 8.727 ( -1.462 -4.024 2.104) 4.770 8.933 ( 1.747 0.986 2.436) 3.155 8.952 ( 3.196 -0.296 0.401) 3.234 9.115 ( 2.491 1.381 -0.613) 2.913 9.159 ( 3.494 -2.212 -3.413) 5.362 9.603 ( -2.268 2.273 2.000) 3.783 9.656 ( -0.595 -2.375 -0.551) 2.509 9.774 ( -0.026 2.604 -3.521) 4.379 9.820 ( -0.240 -1.525 -4.048) 4.332 ======================= Grid point 114 (74/74) ======================= q-point: (-0.12 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 1.265 0.752 3.845) 4.117 0.784 ( 0.654 -0.423 4.934) 4.996 0.838 ( 0.524 2.162 1.138) 2.498 0.867 ( 2.020 -0.097 0.012) 2.022 0.920 ( -0.479 1.454 0.774) 1.715 0.936 ( -0.945 0.606 0.096) 1.127 1.035 ( 1.542 0.197 0.795) 1.746 1.096 ( 0.847 -4.213 -0.545) 4.332 1.168 ( 0.820 0.469 3.802) 3.918 1.199 ( 3.441 -2.398 4.423) 6.096 1.375 ( -0.583 0.470 -1.685) 1.844 1.388 ( -0.177 1.683 0.727) 1.842 1.406 ( -0.261 -0.107 0.841) 0.887 1.423 ( -1.026 -1.148 2.514) 2.947 1.542 ( 1.633 1.178 0.970) 2.235 1.551 ( 1.125 0.287 0.265) 1.191 1.642 ( 2.341 0.190 -1.833) 2.979 1.665 ( 6.504 -3.177 -1.924) 7.490 1.680 ( 3.382 0.781 1.811) 3.915 1.733 ( 0.597 -2.661 1.907) 3.328 1.735 ( -3.793 2.029 -0.956) 4.407 1.791 ( -3.200 -2.350 -1.722) 4.327 1.987 ( -0.283 3.710 2.983) 4.769 1.988 ( 0.555 3.618 1.823) 4.089 2.035 ( -1.184 0.810 1.643) 2.182 2.104 ( 0.319 -2.700 2.870) 3.954 2.124 ( 0.891 1.306 -0.477) 1.652 2.168 ( 1.557 -3.164 0.360) 3.545 2.237 ( 0.078 0.158 -0.164) 0.241 2.258 ( 0.298 -1.811 -0.118) 1.839 2.297 ( 0.178 2.526 -0.508) 2.583 2.336 ( 2.311 -0.497 0.204) 2.373 2.542 ( 3.000 3.081 4.133) 5.965 2.643 ( 2.851 -4.937 1.522) 5.901 2.702 ( -0.172 3.132 -1.440) 3.452 2.724 ( -0.990 2.510 -1.981) 3.347 2.926 ( -5.148 1.644 0.910) 5.480 3.039 ( -5.821 -7.642 0.341) 9.613 3.082 ( -4.347 1.966 -5.558) 7.324 3.128 ( -6.941 -1.943 -3.861) 8.176 3.201 ( -0.380 0.429 1.837) 1.924 3.223 ( -1.599 -0.658 0.721) 1.874 3.374 ( -0.828 2.985 -1.820) 3.592 3.414 ( -2.519 0.784 -2.003) 3.312 3.799 ( 3.517 2.196 2.168) 4.679 3.852 ( -0.589 1.938 2.883) 3.523 3.875 ( 1.765 -2.380 -0.533) 3.011 3.919 ( -0.376 -2.189 1.705) 2.800 5.682 ( 0.940 1.050 -2.507) 2.876 5.717 ( 1.338 -0.886 -1.409) 2.136 5.847 ( 2.011 1.281 -0.268) 2.399 5.892 ( 3.498 -1.018 -1.481) 3.932 6.148 ( -2.347 0.442 0.797) 2.518 6.216 ( 1.074 -2.531 -0.854) 2.880 6.238 ( -2.490 1.628 2.270) 3.743 6.312 ( -2.387 -2.997 2.716) 4.696 6.646 ( 3.310 4.628 2.413) 6.180 6.737 ( 4.174 -1.861 1.097) 4.700 6.746 ( 1.581 4.860 1.578) 5.348 6.891 ( 1.743 -6.841 3.396) 7.834 6.999 ( -1.163 4.083 -2.775) 5.072 7.104 ( -3.313 -4.945 -1.211) 6.075 7.295 ( 2.494 1.772 0.314) 3.075 7.325 ( 0.985 -0.630 0.428) 1.245 7.536 ( -0.394 6.385 -4.342) 7.732 7.619 ( 0.772 2.173 -2.443) 3.360 7.694 ( -5.427 -3.223 -2.213) 6.689 7.743 ( -4.477 -3.947 -1.705) 6.207 8.239 ( -2.479 1.731 2.922) 4.205 8.288 ( -0.892 -2.393 1.092) 2.778 8.366 ( 3.380 2.410 -1.088) 4.291 8.407 ( 2.132 -0.377 -2.878) 3.602 8.528 ( 0.552 2.312 2.355) 3.346 8.591 ( -0.296 -2.151 1.014) 2.397 8.679 ( 2.427 0.780 0.741) 2.655 8.724 ( -0.783 -2.285 1.535) 2.862 8.981 ( 0.546 1.561 4.455) 4.752 9.021 ( 2.654 -1.988 1.765) 3.756 9.139 ( 1.395 1.567 -2.199) 3.039 9.175 ( 1.798 -1.540 -4.383) 4.982 9.579 ( -1.931 2.395 1.915) 3.624 9.635 ( -1.256 -2.567 -0.246) 2.868 9.739 ( -0.109 1.996 -3.634) 4.147 9.770 ( -0.492 -0.813 -4.647) 4.743 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/18144 10.0 9.040 4.446 10.281 0.000 -0.152 0.000 3/18144 20.0 2.436 1.408 2.765 0.000 -0.001 0.000 3/18144 30.0 1.374 0.853 1.571 0.000 0.012 0.000 3/18144 40.0 0.981 0.634 1.127 0.000 0.012 0.000 3/18144 50.0 0.776 0.515 0.894 0.000 0.010 0.000 3/18144 60.0 0.649 0.440 0.747 0.000 0.009 0.000 3/18144 70.0 0.561 0.386 0.645 0.000 0.007 0.000 3/18144 80.0 0.496 0.346 0.569 0.000 0.006 0.000 3/18144 90.0 0.445 0.314 0.510 0.000 0.005 0.000 3/18144 100.0 0.405 0.288 0.463 0.000 0.004 0.000 3/18144 110.0 0.371 0.266 0.424 0.000 0.004 0.000 3/18144 120.0 0.343 0.248 0.392 0.000 0.003 0.000 3/18144 130.0 0.319 0.231 0.364 0.000 0.002 0.000 3/18144 140.0 0.298 0.217 0.340 0.000 0.002 0.000 3/18144 150.0 0.279 0.205 0.319 0.000 0.002 0.000 3/18144 160.0 0.263 0.194 0.300 0.000 0.001 0.000 3/18144 170.0 0.249 0.184 0.284 0.000 0.001 0.000 3/18144 180.0 0.236 0.175 0.269 0.000 0.001 0.000 3/18144 190.0 0.224 0.166 0.256 0.000 0.001 0.000 3/18144 200.0 0.214 0.159 0.244 0.000 0.001 0.000 3/18144 210.0 0.204 0.152 0.233 0.000 0.001 0.000 3/18144 220.0 0.195 0.146 0.223 0.000 0.000 0.000 3/18144 230.0 0.187 0.140 0.214 0.000 0.000 0.000 3/18144 240.0 0.180 0.134 0.205 0.000 0.000 0.000 3/18144 250.0 0.173 0.129 0.197 0.000 0.000 0.000 3/18144 260.0 0.166 0.125 0.190 0.000 0.000 0.000 3/18144 270.0 0.161 0.121 0.183 0.000 0.000 0.000 3/18144 280.0 0.155 0.116 0.177 0.000 0.000 0.000 3/18144 290.0 0.150 0.113 0.171 0.000 0.000 0.000 3/18144 300.0 0.145 0.109 0.165 0.000 0.000 0.000 3/18144 310.0 0.140 0.106 0.160 0.000 0.000 0.000 3/18144 320.0 0.136 0.103 0.155 0.000 -0.000 0.000 3/18144 330.0 0.132 0.100 0.151 0.000 -0.000 0.000 3/18144 340.0 0.128 0.097 0.147 0.000 -0.000 0.000 3/18144 350.0 0.125 0.094 0.142 0.000 -0.000 0.000 3/18144 360.0 0.121 0.092 0.139 0.000 -0.000 0.000 3/18144 370.0 0.118 0.089 0.135 0.000 -0.000 0.000 3/18144 380.0 0.115 0.087 0.131 0.000 -0.000 0.000 3/18144 390.0 0.112 0.085 0.128 0.000 -0.000 0.000 3/18144 400.0 0.110 0.083 0.125 0.000 -0.000 0.000 3/18144 410.0 0.107 0.081 0.122 0.000 -0.000 0.000 3/18144 420.0 0.104 0.079 0.119 0.000 -0.000 0.000 3/18144 430.0 0.102 0.077 0.116 0.000 -0.000 0.000 3/18144 440.0 0.100 0.076 0.114 0.000 -0.000 0.000 3/18144 450.0 0.098 0.074 0.111 0.000 -0.000 0.000 3/18144 460.0 0.096 0.072 0.109 0.000 -0.000 0.000 3/18144 470.0 0.094 0.071 0.107 0.000 -0.000 0.000 3/18144 480.0 0.092 0.069 0.105 0.000 -0.000 0.000 3/18144 490.0 0.090 0.068 0.102 0.000 -0.000 0.000 3/18144 500.0 0.088 0.067 0.100 0.000 -0.000 0.000 3/18144 510.0 0.086 0.065 0.098 0.000 -0.000 0.000 3/18144 520.0 0.085 0.064 0.097 0.000 -0.000 0.000 3/18144 530.0 0.083 0.063 0.095 0.000 -0.000 0.000 3/18144 540.0 0.082 0.062 0.093 0.000 -0.000 0.000 3/18144 550.0 0.080 0.061 0.091 0.000 -0.000 0.000 3/18144 560.0 0.079 0.060 0.090 0.000 -0.000 0.000 3/18144 570.0 0.077 0.059 0.088 0.000 -0.000 0.000 3/18144 580.0 0.076 0.058 0.087 0.000 -0.000 0.000 3/18144 590.0 0.075 0.057 0.085 0.000 -0.000 0.000 3/18144 600.0 0.073 0.056 0.084 0.000 -0.000 0.000 3/18144 610.0 0.072 0.055 0.083 0.000 -0.000 0.000 3/18144 620.0 0.071 0.054 0.081 0.000 -0.000 0.000 3/18144 630.0 0.070 0.053 0.080 0.000 -0.000 0.000 3/18144 640.0 0.069 0.052 0.079 0.000 -0.000 0.000 3/18144 650.0 0.068 0.052 0.077 0.000 -0.000 0.000 3/18144 660.0 0.067 0.051 0.076 0.000 -0.000 0.000 3/18144 670.0 0.066 0.050 0.075 0.000 -0.000 0.000 3/18144 680.0 0.065 0.049 0.074 0.000 -0.000 0.000 3/18144 690.0 0.064 0.049 0.073 0.000 -0.000 0.000 3/18144 700.0 0.063 0.048 0.072 0.000 -0.000 0.000 3/18144 710.0 0.062 0.047 0.071 0.000 -0.000 0.000 3/18144 720.0 0.061 0.047 0.070 0.000 -0.000 0.000 3/18144 730.0 0.061 0.046 0.069 0.000 -0.000 0.000 3/18144 740.0 0.060 0.045 0.068 0.000 -0.000 0.000 3/18144 750.0 0.059 0.045 0.067 0.000 -0.000 0.000 3/18144 760.0 0.058 0.044 0.066 0.000 -0.000 0.000 3/18144 770.0 0.057 0.044 0.066 0.000 -0.000 0.000 3/18144 780.0 0.057 0.043 0.065 0.000 -0.000 0.000 3/18144 790.0 0.056 0.043 0.064 0.000 -0.000 0.000 3/18144 800.0 0.055 0.042 0.063 0.000 -0.000 0.000 3/18144 810.0 0.055 0.041 0.062 0.000 -0.000 0.000 3/18144 820.0 0.054 0.041 0.062 0.000 -0.000 0.000 3/18144 830.0 0.053 0.040 0.061 0.000 -0.000 0.000 3/18144 840.0 0.053 0.040 0.060 0.000 -0.000 0.000 3/18144 850.0 0.052 0.040 0.059 0.000 -0.000 0.000 3/18144 860.0 0.051 0.039 0.059 0.000 -0.000 0.000 3/18144 870.0 0.051 0.039 0.058 0.000 -0.000 0.000 3/18144 880.0 0.050 0.038 0.057 0.000 -0.000 0.000 3/18144 890.0 0.050 0.038 0.057 0.000 -0.000 0.000 3/18144 900.0 0.049 0.037 0.056 0.000 -0.000 0.000 3/18144 910.0 0.049 0.037 0.055 0.000 -0.000 0.000 3/18144 920.0 0.048 0.037 0.055 0.000 -0.000 0.000 3/18144 930.0 0.048 0.036 0.054 0.000 -0.000 0.000 3/18144 940.0 0.047 0.036 0.054 0.000 -0.000 0.000 3/18144 950.0 0.047 0.035 0.053 0.000 -0.000 0.000 3/18144 960.0 0.046 0.035 0.053 0.000 -0.000 0.000 3/18144 970.0 0.046 0.035 0.052 0.000 -0.000 0.000 3/18144 980.0 0.045 0.034 0.052 0.000 -0.000 0.000 3/18144 990.0 0.045 0.034 0.051 0.000 -0.000 0.000 3/18144 1000.0 0.044 0.034 0.051 0.000 -0.000 0.000 3/18144 Thermal conductivity related properties were written into "kappa-m839.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:03:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|